NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
452488 |
2vik   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_2vik
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1321
_Distance_constraint_stats_list.Viol_count 74
_Distance_constraint_stats_list.Viol_total 4.263
_Distance_constraint_stats_list.Viol_max 0.269
_Distance_constraint_stats_list.Viol_rms 0.0192
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0576
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 VAL 0.000 0.000 . 0 "[ ]"
1 2 GLU 0.000 0.000 . 0 "[ ]"
1 3 LEU 0.007 0.007 1 0 "[ ]"
1 4 SER 0.000 0.000 . 0 "[ ]"
1 5 LYS 0.000 0.000 . 0 "[ ]"
1 6 LYS 0.000 0.000 . 0 "[ ]"
1 7 VAL 0.063 0.063 1 0 "[ ]"
1 8 THR 0.000 0.000 . 0 "[ ]"
1 9 GLY 0.000 0.000 . 0 "[ ]"
1 10 LYS 0.005 0.005 1 0 "[ ]"
1 11 LEU 0.005 0.005 1 0 "[ ]"
1 13 LYS 0.000 0.000 . 0 "[ ]"
1 14 THR 0.026 0.026 1 0 "[ ]"
1 15 THR 0.061 0.035 1 0 "[ ]"
1 16 PRO 0.000 0.000 . 0 "[ ]"
1 17 GLY 0.025 0.025 1 0 "[ ]"
1 18 ILE 0.236 0.228 1 0 "[ ]"
1 19 GLN 0.052 0.052 1 0 "[ ]"
1 20 ILE 0.088 0.059 1 0 "[ ]"
1 21 TRP 0.214 0.063 1 0 "[ ]"
1 22 ARG 0.243 0.174 1 0 "[ ]"
1 23 ILE 0.000 0.000 . 0 "[ ]"
1 24 GLU 0.029 0.029 1 0 "[ ]"
1 25 ASN 0.000 0.000 . 0 "[ ]"
1 26 MET 0.000 0.000 . 0 "[ ]"
1 27 GLU 0.029 0.029 1 0 "[ ]"
1 28 MET 0.078 0.054 1 0 "[ ]"
1 29 VAL 0.093 0.054 1 0 "[ ]"
1 30 PRO 0.068 0.039 1 0 "[ ]"
1 31 VAL 0.197 0.174 1 0 "[ ]"
1 32 PRO 0.000 0.000 . 0 "[ ]"
1 33 THR 0.000 0.000 . 0 "[ ]"
1 34 LYS 0.000 0.000 . 0 "[ ]"
1 35 SER 0.000 0.000 . 0 "[ ]"
1 36 TYR 0.000 0.000 . 0 "[ ]"
1 37 GLY 0.000 0.000 . 0 "[ ]"
1 38 ASN 0.010 0.010 1 0 "[ ]"
1 39 PHE 0.007 0.007 1 0 "[ ]"
1 40 TYR 0.031 0.031 1 0 "[ ]"
1 41 GLU 0.067 0.057 1 0 "[ ]"
1 42 GLY 0.000 0.000 . 0 "[ ]"
1 43 ASP 0.196 0.108 1 0 "[ ]"
1 44 CYS 0.156 0.156 1 0 "[ ]"
1 45 TYR 0.022 0.022 1 0 "[ ]"
1 46 VAL 0.000 0.000 . 0 "[ ]"
1 47 LEU 0.228 0.228 1 0 "[ ]"
1 48 LEU 0.038 0.029 1 0 "[ ]"
1 49 SER 0.217 0.168 1 0 "[ ]"
1 50 THR 0.244 0.168 1 0 "[ ]"
1 51 ARG 0.000 0.000 . 0 "[ ]"
1 52 LYS 0.000 0.000 . 0 "[ ]"
1 53 THR 0.000 0.000 . 0 "[ ]"
1 54 GLY 0.000 0.000 . 0 "[ ]"
1 55 SER 0.000 0.000 . 0 "[ ]"
1 56 GLY 0.000 0.000 . 0 "[ ]"
1 57 PHE 0.060 0.035 1 0 "[ ]"
1 58 SER 0.024 0.024 1 0 "[ ]"
1 59 TYR 0.107 0.059 1 0 "[ ]"
1 60 ASN 0.152 0.052 1 0 "[ ]"
1 61 ILE 0.147 0.115 1 0 "[ ]"
1 62 HIS 0.428 0.269 1 0 "[ ]"
1 63 TYR 0.374 0.269 1 0 "[ ]"
1 64 TRP 0.555 0.156 1 0 "[ ]"
1 65 LEU 0.233 0.102 1 0 "[ ]"
1 66 GLY 0.083 0.083 1 0 "[ ]"
1 67 LYS 0.252 0.148 1 0 "[ ]"
1 68 ASN 0.148 0.148 1 0 "[ ]"
1 69 SER 0.212 0.108 1 0 "[ ]"
1 70 SER 0.000 0.000 . 0 "[ ]"
1 71 GLN 0.000 0.000 . 0 "[ ]"
1 72 ASP 0.080 0.080 1 0 "[ ]"
1 73 GLU 0.055 0.055 1 0 "[ ]"
1 74 GLN 0.000 0.000 . 0 "[ ]"
1 75 GLY 0.080 0.080 1 0 "[ ]"
1 76 ALA 0.099 0.055 1 0 "[ ]"
1 77 ALA 0.000 0.000 . 0 "[ ]"
1 78 ALA 0.000 0.000 . 0 "[ ]"
1 79 ILE 0.025 0.025 1 0 "[ ]"
1 80 TYR 0.019 0.019 1 0 "[ ]"
1 81 THR 0.004 0.004 1 0 "[ ]"
1 82 THR 0.016 0.012 1 0 "[ ]"
1 83 GLN 0.000 0.000 . 0 "[ ]"
1 84 MET 0.012 0.012 1 0 "[ ]"
1 85 ASP 0.021 0.021 1 0 "[ ]"
1 86 GLU 0.000 0.000 . 0 "[ ]"
1 87 TYR 0.000 0.000 . 0 "[ ]"
1 88 LEU 0.000 0.000 . 0 "[ ]"
1 89 GLY 0.000 0.000 . 0 "[ ]"
1 90 SER 0.000 0.000 . 0 "[ ]"
1 91 VAL 0.059 0.059 1 0 "[ ]"
1 92 ALA 0.028 0.028 1 0 "[ ]"
1 93 VAL 0.000 0.000 . 0 "[ ]"
1 94 GLN 0.057 0.052 1 0 "[ ]"
1 95 HIS 0.149 0.069 1 0 "[ ]"
1 96 ARG 0.000 0.000 . 0 "[ ]"
1 97 GLU 0.064 0.064 1 0 "[ ]"
1 98 VAL 0.191 0.083 1 0 "[ ]"
1 99 GLN 0.234 0.215 1 0 "[ ]"
1 100 GLY 0.215 0.215 1 0 "[ ]"
1 101 HIS 0.080 0.064 1 0 "[ ]"
1 102 GLU 0.106 0.089 1 0 "[ ]"
1 103 SER 0.017 0.017 1 0 "[ ]"
1 104 GLU 0.000 0.000 . 0 "[ ]"
1 105 THR 0.033 0.033 1 0 "[ ]"
1 106 PHE 0.128 0.103 1 0 "[ ]"
1 107 ARG 0.000 0.000 . 0 "[ ]"
1 108 ALA 0.033 0.033 1 0 "[ ]"
1 109 TYR 0.000 0.000 . 0 "[ ]"
1 110 PHE 0.126 0.059 1 0 "[ ]"
1 111 LYS 0.040 0.040 1 0 "[ ]"
1 112 GLN 0.000 0.000 . 0 "[ ]"
1 113 GLY 0.021 0.021 1 0 "[ ]"
1 114 LEU 0.021 0.021 1 0 "[ ]"
1 115 ILE 0.025 0.025 1 0 "[ ]"
1 116 TYR 0.035 0.025 1 0 "[ ]"
1 117 LYS 0.000 0.000 . 0 "[ ]"
1 118 GLN 0.000 0.000 . 0 "[ ]"
1 119 GLY 0.000 0.000 . 0 "[ ]"
1 120 GLY 0.000 0.000 . 0 "[ ]"
1 121 VAL 0.366 0.240 1 0 "[ ]"
1 122 ALA 0.366 0.240 1 0 "[ ]"
1 123 SER 0.038 0.038 1 0 "[ ]"
1 124 GLY 0.038 0.038 1 0 "[ ]"
1 125 MET 0.000 0.000 . 0 "[ ]"
1 126 LYS 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 VAL HA 1 2 GLU QG 3.500 . 5.800 3.738 3.738 3.738 . 0 0 "[ ]" 1
2 1 1 VAL MG1 1 2 GLU QB 3.500 . 6.800 3.125 3.125 3.125 . 0 0 "[ ]" 1
3 1 1 VAL MG1 1 80 TYR QE 3.500 . 7.400 4.021 4.021 4.021 . 0 0 "[ ]" 1
4 1 1 VAL MG2 1 2 GLU QG 3.500 . 6.800 4.028 4.028 4.028 . 0 0 "[ ]" 1
5 1 1 VAL MG2 1 80 TYR QE 3.500 . 7.400 4.846 4.846 4.846 . 0 0 "[ ]" 1
6 1 1 VAL H1 1 30 PRO QD 2.500 . 6.600 4.278 4.278 4.278 . 0 0 "[ ]" 1
7 1 2 GLU H 1 2 GLU HA 2.500 . 3.000 2.364 2.364 2.364 . 0 0 "[ ]" 1
8 1 1 VAL HA 1 2 GLU H 2.500 . 3.000 2.221 2.221 2.221 . 0 0 "[ ]" 1
9 1 1 VAL MG1 1 2 GLU H 4.500 . 6.000 2.423 2.423 2.423 . 0 0 "[ ]" 1
10 1 1 VAL MG2 1 2 GLU H 4.500 . 6.000 4.085 4.085 4.085 . 0 0 "[ ]" 1
11 1 2 GLU HA 1 3 LEU H 3.500 . 4.000 2.431 2.431 2.431 . 0 0 "[ ]" 1
12 1 2 GLU QB 1 3 LEU H 4.500 . 6.800 3.924 3.924 3.924 . 0 0 "[ ]" 1
13 1 2 GLU QG 1 3 LEU H 4.500 . 6.800 4.218 4.218 4.218 . 0 0 "[ ]" 1
14 1 3 LEU H 1 80 TYR QD 4.500 . 7.400 2.024 2.024 2.024 . 0 0 "[ ]" 1
15 1 3 LEU HA 1 21 TRP HD1 4.500 . 5.000 5.007 5.007 5.007 0.007 1 0 "[ ]" 1
16 1 3 LEU HA 1 80 TYR QD 3.500 . 6.400 4.111 4.111 4.111 . 0 0 "[ ]" 1
17 1 3 LEU HA 1 80 TYR QE 3.500 . 6.400 4.678 4.678 4.678 . 0 0 "[ ]" 1
18 1 3 LEU MD1 1 4 SER QB 4.500 . 9.600 4.573 4.573 4.573 . 0 0 "[ ]" 1
19 1 3 LEU MD1 1 7 VAL MG1 2.500 . 6.800 2.044 2.044 2.044 . 0 0 "[ ]" 1
20 1 3 LEU MD1 1 80 TYR HB2 2.500 . 5.800 3.940 3.940 3.940 . 0 0 "[ ]" 1
21 1 3 LEU MD1 1 80 TYR HB3 2.500 . 5.800 2.518 2.518 2.518 . 0 0 "[ ]" 1
22 1 3 LEU MD1 1 81 THR HA 3.500 . 6.800 4.053 4.053 4.053 . 0 0 "[ ]" 1
23 1 3 LEU MD1 1 84 MET QB 3.500 . 8.600 2.029 2.029 2.029 . 0 0 "[ ]" 1
24 1 3 LEU MD1 1 84 MET QG 3.500 . 8.600 2.731 2.731 2.731 . 0 0 "[ ]" 1
25 1 3 LEU MD1 1 84 MET ME 2.500 . 6.800 1.997 1.997 1.997 . 0 0 "[ ]" 1
26 1 3 LEU MD2 1 4 SER QB 4.500 . 9.600 3.029 3.029 3.029 . 0 0 "[ ]" 1
27 1 3 LEU MD2 1 7 VAL MG1 2.500 . 6.800 4.146 4.146 4.146 . 0 0 "[ ]" 1
28 1 3 LEU MD2 1 80 TYR HB2 2.500 . 5.800 3.986 3.986 3.986 . 0 0 "[ ]" 1
29 1 3 LEU MD2 1 80 TYR HB3 2.500 . 5.800 2.708 2.708 2.708 . 0 0 "[ ]" 1
30 1 3 LEU MD2 1 81 THR HA 3.500 . 6.800 5.360 5.360 5.360 . 0 0 "[ ]" 1
31 1 3 LEU MD2 1 84 MET QB 3.500 . 8.600 4.184 4.184 4.184 . 0 0 "[ ]" 1
32 1 3 LEU MD2 1 84 MET QG 3.500 . 8.600 4.320 4.320 4.320 . 0 0 "[ ]" 1
33 1 3 LEU MD2 1 84 MET ME 2.500 . 6.800 3.963 3.963 3.963 . 0 0 "[ ]" 1
34 1 3 LEU HB2 1 4 SER H 3.500 . 5.800 3.971 3.971 3.971 . 0 0 "[ ]" 1
35 1 3 LEU HB3 1 4 SER H 3.500 . 5.800 3.781 3.781 3.781 . 0 0 "[ ]" 1
36 1 3 LEU MD1 1 4 SER H 2.500 . 5.800 3.814 3.814 3.814 . 0 0 "[ ]" 1
37 1 3 LEU MD2 1 4 SER H 2.500 . 5.800 1.832 1.832 1.832 . 0 0 "[ ]" 1
38 1 4 SER H 1 4 SER QB 2.500 . 4.800 2.159 2.159 2.159 . 0 0 "[ ]" 1
39 1 4 SER H 1 7 VAL HB 4.500 . 5.000 3.985 3.985 3.985 . 0 0 "[ ]" 1
40 1 4 SER H 1 7 VAL MG2 4.500 . 6.000 4.240 4.240 4.240 . 0 0 "[ ]" 1
41 1 4 SER HA 1 7 VAL MG1 4.500 . 6.000 4.820 4.820 4.820 . 0 0 "[ ]" 1
42 1 4 SER HA 1 7 VAL MG2 4.500 . 6.000 4.482 4.482 4.482 . 0 0 "[ ]" 1
43 1 4 SER HA 1 8 THR MG 3.500 . 5.000 1.829 1.829 1.829 . 0 0 "[ ]" 1
44 1 4 SER QB 1 87 TYR QB 4.500 . 8.600 5.023 5.023 5.023 . 0 0 "[ ]" 1
45 1 4 SER QB 1 5 LYS H 2.500 . 4.800 2.947 2.947 2.947 . 0 0 "[ ]" 1
46 1 5 LYS H 1 5 LYS HA 2.500 . 3.000 2.362 2.362 2.362 . 0 0 "[ ]" 1
47 1 5 LYS H 1 6 LYS H 3.500 . 4.000 3.856 3.856 3.856 . 0 0 "[ ]" 1
48 1 5 LYS QG 1 6 LYS HA 2.500 . 4.800 4.089 4.089 4.089 . 0 0 "[ ]" 1
49 1 5 LYS HA 1 6 LYS H 3.500 . 4.000 3.581 3.581 3.581 . 0 0 "[ ]" 1
50 1 6 LYS H 1 7 VAL H 2.500 . 3.000 2.729 2.729 2.729 . 0 0 "[ ]" 1
51 1 6 LYS HA 1 7 VAL H 4.500 . 5.000 3.126 3.126 3.126 . 0 0 "[ ]" 1
52 1 7 VAL H 1 8 THR H 3.500 . 4.000 2.630 2.630 2.630 . 0 0 "[ ]" 1
53 1 7 VAL MG1 1 8 THR HA 3.500 . 5.000 3.705 3.705 3.705 . 0 0 "[ ]" 1
54 1 7 VAL MG1 1 21 TRP HZ2 4.500 . 6.000 1.737 1.737 1.737 0.063 1 0 "[ ]" 1
55 1 7 VAL MG1 1 21 TRP HZ3 4.500 . 8.400 4.776 4.776 4.776 . 0 0 "[ ]" 1
56 1 7 VAL MG1 1 21 TRP HH2 4.500 . 8.400 3.381 3.381 3.381 . 0 0 "[ ]" 1
57 1 7 VAL MG1 1 84 MET ME 2.500 . 5.000 2.489 2.489 2.489 . 0 0 "[ ]" 1
58 1 7 VAL MG2 1 21 TRP HD1 3.500 . 5.000 3.724 3.724 3.724 . 0 0 "[ ]" 1
59 1 4 SER HA 1 8 THR H 4.500 . 5.000 2.401 2.401 2.401 . 0 0 "[ ]" 1
60 1 7 VAL HB 1 8 THR H 3.500 . 4.000 1.879 1.879 1.879 . 0 0 "[ ]" 1
61 1 8 THR H 1 9 GLY QA 4.500 . 6.800 4.678 4.678 4.678 . 0 0 "[ ]" 1
62 1 8 THR HA 1 11 LEU HA 4.500 . 5.000 4.839 4.839 4.839 . 0 0 "[ ]" 1
63 1 8 THR HA 1 11 LEU QB 4.500 . 6.800 4.244 4.244 4.244 . 0 0 "[ ]" 1
64 1 8 THR HA 1 11 LEU HG 3.500 . 4.000 2.332 2.332 2.332 . 0 0 "[ ]" 1
65 1 8 THR HA 1 87 TYR QD 3.500 . 6.400 4.167 4.167 4.167 . 0 0 "[ ]" 1
66 1 8 THR HB 1 11 LEU MD1 3.500 . 6.800 3.795 3.795 3.795 . 0 0 "[ ]" 1
67 1 8 THR HB 1 11 LEU MD2 3.500 . 6.800 4.959 4.959 4.959 . 0 0 "[ ]" 1
68 1 8 THR MG 1 87 TYR QD 3.500 . 7.400 3.097 3.097 3.097 . 0 0 "[ ]" 1
69 1 8 THR MG 1 87 TYR QE 2.500 . 6.400 3.850 3.850 3.850 . 0 0 "[ ]" 1
70 1 5 LYS HA 1 9 GLY H 3.500 . 4.000 3.947 3.947 3.947 . 0 0 "[ ]" 1
71 1 5 LYS QB 1 9 GLY H 4.500 . 6.800 5.174 5.174 5.174 . 0 0 "[ ]" 1
72 1 9 GLY H 1 10 LYS H 3.500 . 4.000 2.901 2.901 2.901 . 0 0 "[ ]" 1
73 1 9 GLY QA 1 10 LYS H 3.500 . 5.800 2.605 2.605 2.605 . 0 0 "[ ]" 1
74 1 8 THR HA 1 11 LEU H 4.500 . 5.000 3.669 3.669 3.669 . 0 0 "[ ]" 1
75 1 10 LYS H 1 11 LEU H 2.500 . 3.000 3.005 3.005 3.005 0.005 1 0 "[ ]" 1
76 1 10 LYS HA 1 11 LEU H 4.500 . 5.000 2.579 2.579 2.579 . 0 0 "[ ]" 1
77 1 10 LYS QB 1 11 LEU H 3.500 . 5.800 3.917 3.917 3.917 . 0 0 "[ ]" 1
78 1 11 LEU H 1 11 LEU QB 2.500 . 4.800 2.492 2.492 2.492 . 0 0 "[ ]" 1
79 1 11 LEU HA 1 21 TRP HZ2 3.500 . 4.000 3.444 3.444 3.444 . 0 0 "[ ]" 1
80 1 11 LEU HA 1 88 LEU MD1 5.500 . 7.000 5.673 5.673 5.673 . 0 0 "[ ]" 1
81 1 11 LEU HA 1 88 LEU MD2 4.500 . 6.000 4.617 4.617 4.617 . 0 0 "[ ]" 1
82 1 11 LEU QB 1 88 LEU MD2 2.500 . 5.800 1.885 1.885 1.885 . 0 0 "[ ]" 1
83 1 8 THR HA 1 11 LEU MD1 2.500 . 5.800 2.297 2.297 2.297 . 0 0 "[ ]" 1
84 1 10 LYS HA 1 11 LEU MD1 3.500 . 6.800 4.961 4.961 4.961 . 0 0 "[ ]" 1
85 1 11 LEU MD1 1 21 TRP HH2 2.500 . 8.200 4.286 4.286 4.286 . 0 0 "[ ]" 1
86 1 11 LEU MD1 1 21 TRP HZ2 2.500 . 5.800 4.849 4.849 4.849 . 0 0 "[ ]" 1
87 1 11 LEU MD1 1 21 TRP HZ3 2.500 . 8.200 5.621 5.621 5.621 . 0 0 "[ ]" 1
88 1 11 LEU MD1 1 48 LEU MD2 2.500 . 6.800 2.635 2.635 2.635 . 0 0 "[ ]" 1
89 1 11 LEU MD1 1 84 MET QB 2.500 . 7.600 1.907 1.907 1.907 . 0 0 "[ ]" 1
90 1 11 LEU MD1 1 84 MET QG 3.500 . 8.600 3.753 3.753 3.753 . 0 0 "[ ]" 1
91 1 11 LEU MD1 1 84 MET ME 2.500 . 6.800 3.227 3.227 3.227 . 0 0 "[ ]" 1
92 1 11 LEU MD1 1 87 TYR QB 4.500 . 9.600 3.153 3.153 3.153 . 0 0 "[ ]" 1
93 1 11 LEU MD1 1 88 LEU H 4.500 . 7.800 3.907 3.907 3.907 . 0 0 "[ ]" 1
94 1 11 LEU MD1 1 88 LEU HA 4.500 . 7.800 3.178 3.178 3.178 . 0 0 "[ ]" 1
95 1 11 LEU MD1 1 88 LEU MD1 2.500 . 6.800 1.973 1.973 1.973 . 0 0 "[ ]" 1
96 1 11 LEU MD2 1 21 TRP HH2 2.500 . 8.200 2.202 2.202 2.202 . 0 0 "[ ]" 1
97 1 11 LEU MD2 1 21 TRP HZ2 2.500 . 5.800 2.061 2.061 2.061 . 0 0 "[ ]" 1
98 1 11 LEU MD2 1 21 TRP HZ3 2.500 . 8.200 3.868 3.868 3.868 . 0 0 "[ ]" 1
99 1 11 LEU MD2 1 84 MET QB 2.500 . 7.600 2.271 2.271 2.271 . 0 0 "[ ]" 1
100 1 11 LEU MD2 1 84 MET QG 3.500 . 8.600 3.821 3.821 3.821 . 0 0 "[ ]" 1
101 1 11 LEU MD2 1 84 MET ME 2.500 . 6.800 1.922 1.922 1.922 . 0 0 "[ ]" 1
102 1 11 LEU MD2 1 87 TYR QB 4.500 . 9.600 4.755 4.755 4.755 . 0 0 "[ ]" 1
103 1 11 LEU MD2 1 88 LEU HA 4.500 . 7.800 5.829 5.829 5.829 . 0 0 "[ ]" 1
104 1 11 LEU MD2 1 88 LEU H 4.500 . 7.800 6.122 6.122 6.122 . 0 0 "[ ]" 1
105 1 13 LYS HA 1 14 THR MG 3.500 . 5.000 3.967 3.967 3.967 . 0 0 "[ ]" 1
106 1 13 LYS HA 1 50 THR MG 3.500 . 5.000 3.976 3.976 3.976 . 0 0 "[ ]" 1
107 1 11 LEU MD1 1 13 LYS QE 3.500 . 8.600 4.811 4.811 4.811 . 0 0 "[ ]" 1
108 1 11 LEU MD2 1 13 LYS QE 3.500 . 8.600 6.368 6.368 6.368 . 0 0 "[ ]" 1
109 1 13 LYS QE 1 88 LEU MD2 2.500 . 5.800 3.724 3.724 3.724 . 0 0 "[ ]" 1
110 1 13 LYS HA 1 14 THR H 4.500 . 5.000 2.201 2.201 2.201 . 0 0 "[ ]" 1
111 1 14 THR MG 1 57 PHE QD 2.500 . 6.400 4.238 4.238 4.238 . 0 0 "[ ]" 1
112 1 14 THR MG 1 57 PHE QE 2.500 . 6.400 2.524 2.524 2.524 . 0 0 "[ ]" 1
113 1 14 THR MG 1 57 PHE HZ 2.500 . 4.000 3.041 3.041 3.041 . 0 0 "[ ]" 1
114 1 14 THR H 1 15 THR H 2.500 . 3.000 3.026 3.026 3.026 0.026 1 0 "[ ]" 1
115 1 14 THR HA 1 15 THR H 2.500 . 3.000 2.614 2.614 2.614 . 0 0 "[ ]" 1
116 1 15 THR H 1 50 THR MG 3.500 . 5.000 3.290 3.290 3.290 . 0 0 "[ ]" 1
117 1 15 THR HA 1 16 PRO QB 4.500 . 6.800 4.645 4.645 4.645 . 0 0 "[ ]" 1
118 1 15 THR HA 1 16 PRO QG 4.500 . 6.800 3.819 3.819 3.819 . 0 0 "[ ]" 1
119 1 15 THR HA 1 16 PRO QD 2.500 . 4.800 1.884 1.884 1.884 . 0 0 "[ ]" 1
120 1 15 THR HA 1 57 PHE QE 3.500 . 6.400 4.493 4.493 4.493 . 0 0 "[ ]" 1
121 1 15 THR HA 1 57 PHE HZ 4.500 . 5.000 5.035 5.035 5.035 0.035 1 0 "[ ]" 1
122 1 15 THR MG 1 16 PRO QB 4.500 . 7.800 4.623 4.623 4.623 . 0 0 "[ ]" 1
123 1 15 THR MG 1 57 PHE QE 4.500 . 8.400 5.469 5.469 5.469 . 0 0 "[ ]" 1
124 1 16 PRO HA 1 50 THR MG 2.500 . 4.000 2.906 2.906 2.906 . 0 0 "[ ]" 1
125 1 16 PRO HA 1 51 ARG HA 3.500 . 4.000 3.041 3.041 3.041 . 0 0 "[ ]" 1
126 1 16 PRO HA 1 57 PHE QD 3.500 . 6.400 4.404 4.404 4.404 . 0 0 "[ ]" 1
127 1 16 PRO HA 1 57 PHE QE 3.500 . 6.400 3.841 3.841 3.841 . 0 0 "[ ]" 1
128 1 16 PRO QB 1 52 LYS HB3 3.500 . 5.800 3.652 3.652 3.652 . 0 0 "[ ]" 1
129 1 16 PRO QB 1 57 PHE QE 3.500 . 8.200 3.822 3.822 3.822 . 0 0 "[ ]" 1
130 1 15 THR MG 1 16 PRO QD 2.500 . 5.800 2.677 2.677 2.677 . 0 0 "[ ]" 1
131 1 16 PRO QD 1 57 PHE QE 3.500 . 6.400 3.502 3.502 3.502 . 0 0 "[ ]" 1
132 1 16 PRO QD 1 57 PHE HZ 3.500 . 5.800 4.290 4.290 4.290 . 0 0 "[ ]" 1
133 1 16 PRO HA 1 17 GLY H 2.500 . 3.000 2.213 2.213 2.213 . 0 0 "[ ]" 1
134 1 16 PRO QB 1 17 GLY H 3.500 . 5.800 3.531 3.531 3.531 . 0 0 "[ ]" 1
135 1 17 GLY H 1 18 ILE H 4.500 . 5.000 4.229 4.229 4.229 . 0 0 "[ ]" 1
136 1 17 GLY H 1 50 THR H 2.500 . 3.000 3.025 3.025 3.025 0.025 1 0 "[ ]" 1
137 1 17 GLY H 1 50 THR MG 4.500 . 6.000 3.546 3.546 3.546 . 0 0 "[ ]" 1
138 1 17 GLY QA 1 18 ILE H 3.500 . 4.000 2.214 2.214 2.214 . 0 0 "[ ]" 1
139 1 18 ILE HA 1 19 GLN HA 4.500 . 5.000 4.462 4.462 4.462 . 0 0 "[ ]" 1
140 1 18 ILE HA 1 49 SER HA 4.500 . 5.000 2.295 2.295 2.295 . 0 0 "[ ]" 1
141 1 18 ILE HB 1 48 LEU H 3.500 . 4.000 4.009 4.009 4.009 0.009 1 0 "[ ]" 1
142 1 18 ILE QG 1 20 ILE MD 3.500 . 6.800 3.774 3.774 3.774 . 0 0 "[ ]" 1
143 1 18 ILE QG 1 48 LEU H 3.500 . 5.800 4.974 4.974 4.974 . 0 0 "[ ]" 1
144 1 18 ILE MD 1 19 GLN HA 4.500 . 6.000 4.998 4.998 4.998 . 0 0 "[ ]" 1
145 1 18 ILE MD 1 20 ILE MD 3.500 . 6.000 3.034 3.034 3.034 . 0 0 "[ ]" 1
146 1 18 ILE MD 1 36 TYR HB2 4.500 . 6.000 3.786 3.786 3.786 . 0 0 "[ ]" 1
147 1 18 ILE MD 1 36 TYR HB3 4.500 . 6.000 4.900 4.900 4.900 . 0 0 "[ ]" 1
148 1 18 ILE MD 1 47 LEU HA 4.500 . 6.000 4.672 4.672 4.672 . 0 0 "[ ]" 1
149 1 18 ILE MD 1 47 LEU MD1 2.500 . 5.000 1.572 1.572 1.572 0.228 1 0 "[ ]" 1
150 1 18 ILE MD 1 47 LEU MD2 2.500 . 5.000 2.701 2.701 2.701 . 0 0 "[ ]" 1
151 1 18 ILE MD 1 49 SER HB2 4.500 . 6.000 4.247 4.247 4.247 . 0 0 "[ ]" 1
152 1 18 ILE MD 1 49 SER HB3 5.500 . 7.000 5.626 5.626 5.626 . 0 0 "[ ]" 1
153 1 18 ILE MD 1 109 TYR HA 3.500 . 5.000 4.047 4.047 4.047 . 0 0 "[ ]" 1
154 1 18 ILE MD 1 109 TYR HB2 3.500 . 5.000 2.524 2.524 2.524 . 0 0 "[ ]" 1
155 1 18 ILE MD 1 109 TYR HB3 2.500 . 4.000 1.985 1.985 1.985 . 0 0 "[ ]" 1
156 1 18 ILE MD 1 109 TYR QD 2.500 . 6.400 3.325 3.325 3.325 . 0 0 "[ ]" 1
157 1 18 ILE MD 1 109 TYR QE 3.500 . 7.400 4.835 4.835 4.835 . 0 0 "[ ]" 1
158 1 18 ILE MD 1 110 PHE HA 4.500 . 6.000 4.076 4.076 4.076 . 0 0 "[ ]" 1
159 1 18 ILE MD 1 110 PHE QE 2.500 . 6.400 1.821 1.821 1.821 . 0 0 "[ ]" 1
160 1 18 ILE HA 1 18 ILE MG 2.500 . 4.000 2.489 2.489 2.489 . 0 0 "[ ]" 1
161 1 18 ILE MG 1 19 GLN HA 5.500 . 7.000 5.522 5.522 5.522 . 0 0 "[ ]" 1
162 1 18 ILE MG 1 47 LEU MD1 2.500 . 5.000 3.040 3.040 3.040 . 0 0 "[ ]" 1
163 1 18 ILE MG 1 47 LEU MD2 2.500 . 5.000 2.825 2.825 2.825 . 0 0 "[ ]" 1
164 1 18 ILE MG 1 49 SER H 4.500 . 6.000 4.266 4.266 4.266 . 0 0 "[ ]" 1
165 1 18 ILE MG 1 49 SER HB2 2.500 . 4.000 2.846 2.846 2.846 . 0 0 "[ ]" 1
166 1 18 ILE MG 1 49 SER HB3 3.500 . 5.000 3.637 3.637 3.637 . 0 0 "[ ]" 1
167 1 18 ILE MG 1 109 TYR HA 3.500 . 5.000 3.787 3.787 3.787 . 0 0 "[ ]" 1
168 1 18 ILE MG 1 109 TYR HB2 3.500 . 5.000 3.417 3.417 3.417 . 0 0 "[ ]" 1
169 1 18 ILE MG 1 109 TYR HB3 2.500 . 4.000 2.024 2.024 2.024 . 0 0 "[ ]" 1
170 1 18 ILE HA 1 19 GLN H 2.500 . 3.000 2.223 2.223 2.223 . 0 0 "[ ]" 1
171 1 18 ILE MG 1 19 GLN H 3.500 . 5.000 4.091 4.091 4.091 . 0 0 "[ ]" 1
172 1 19 GLN H 1 21 TRP HH2 4.500 . 7.400 4.835 4.835 4.835 . 0 0 "[ ]" 1
173 1 19 GLN H 1 21 TRP HZ3 4.500 . 7.400 4.150 4.150 4.150 . 0 0 "[ ]" 1
174 1 19 GLN H 1 47 LEU HA 4.500 . 5.000 4.603 4.603 4.603 . 0 0 "[ ]" 1
175 1 19 GLN H 1 47 LEU MD1 4.500 . 6.000 4.960 4.960 4.960 . 0 0 "[ ]" 1
176 1 19 GLN H 1 47 LEU MD2 4.500 . 6.000 4.357 4.357 4.357 . 0 0 "[ ]" 1
177 1 19 GLN H 1 48 LEU H 4.500 . 5.000 2.983 2.983 2.983 . 0 0 "[ ]" 1
178 1 19 GLN H 1 49 SER HA 3.500 . 4.000 3.790 3.790 3.790 . 0 0 "[ ]" 1
179 1 19 GLN H 1 50 THR H 4.500 . 5.000 5.052 5.052 5.052 0.052 1 0 "[ ]" 1
180 1 19 GLN HA 1 20 ILE QG 4.500 . 6.800 3.461 3.461 3.461 . 0 0 "[ ]" 1
181 1 19 GLN HA 1 48 LEU H 4.500 . 5.000 4.729 4.729 4.729 . 0 0 "[ ]" 1
182 1 19 GLN QB 1 21 TRP HE3 3.500 . 5.800 4.846 4.846 4.846 . 0 0 "[ ]" 1
183 1 19 GLN QG 1 31 VAL H 4.500 . 6.800 3.494 3.494 3.494 . 0 0 "[ ]" 1
184 1 11 LEU MD1 1 19 GLN HE21 4.500 . 7.800 5.582 5.582 5.582 . 0 0 "[ ]" 1
185 1 11 LEU MD2 1 19 GLN HE21 4.500 . 7.800 3.509 3.509 3.509 . 0 0 "[ ]" 1
186 1 19 GLN HE21 1 48 LEU MD1 3.500 . 6.800 5.718 5.718 5.718 . 0 0 "[ ]" 1
187 1 19 GLN HE21 1 48 LEU MD2 3.500 . 6.800 3.160 3.160 3.160 . 0 0 "[ ]" 1
188 1 11 LEU MD1 1 19 GLN HE22 4.500 . 7.800 5.026 5.026 5.026 . 0 0 "[ ]" 1
189 1 11 LEU MD2 1 19 GLN HE22 4.500 . 7.800 2.424 2.424 2.424 . 0 0 "[ ]" 1
190 1 19 GLN HE22 1 48 LEU MD1 4.500 . 7.800 6.138 6.138 6.138 . 0 0 "[ ]" 1
191 1 19 GLN HE22 1 48 LEU MD2 4.500 . 7.800 3.641 3.641 3.641 . 0 0 "[ ]" 1
192 1 19 GLN HA 1 20 ILE H 3.500 . 4.000 2.224 2.224 2.224 . 0 0 "[ ]" 1
193 1 19 GLN QB 1 20 ILE H 3.500 . 5.800 3.941 3.941 3.941 . 0 0 "[ ]" 1
194 1 20 ILE H 1 21 TRP HA 5.500 . 6.000 5.220 5.220 5.220 . 0 0 "[ ]" 1
195 1 20 ILE H 1 31 VAL MG1 2.500 . 5.800 2.968 2.968 2.968 . 0 0 "[ ]" 1
196 1 20 ILE H 1 31 VAL MG2 2.500 . 5.800 4.875 4.875 4.875 . 0 0 "[ ]" 1
197 1 20 ILE H 1 48 LEU H 4.500 . 5.000 4.503 4.503 4.503 . 0 0 "[ ]" 1
198 1 20 ILE HA 1 21 TRP HH2 3.500 . 6.400 5.719 5.719 5.719 . 0 0 "[ ]" 1
199 1 20 ILE HA 1 21 TRP HZ3 3.500 . 6.400 3.739 3.739 3.739 . 0 0 "[ ]" 1
200 1 20 ILE HA 1 47 LEU HA 3.500 . 4.000 1.829 1.829 1.829 . 0 0 "[ ]" 1
201 1 20 ILE HA 1 47 LEU HB2 4.500 . 5.000 3.694 3.694 3.694 . 0 0 "[ ]" 1
202 1 20 ILE HB 1 31 VAL H 4.500 . 5.000 4.359 4.359 4.359 . 0 0 "[ ]" 1
203 1 20 ILE HB 1 31 VAL HB 2.500 . 3.000 2.177 2.177 2.177 . 0 0 "[ ]" 1
204 1 20 ILE HB 1 45 TYR QD 3.500 . 6.400 3.287 3.287 3.287 . 0 0 "[ ]" 1
205 1 20 ILE HB 1 45 TYR QE 3.500 . 6.400 4.903 4.903 4.903 . 0 0 "[ ]" 1
206 1 20 ILE HB 1 47 LEU HA 4.500 . 5.000 4.387 4.387 4.387 . 0 0 "[ ]" 1
207 1 20 ILE HB 1 106 PHE HZ 4.500 . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
208 1 20 ILE QG 1 31 VAL MG1 3.500 . 8.600 3.024 3.024 3.024 . 0 0 "[ ]" 1
209 1 20 ILE QG 1 31 VAL MG2 4.500 . 9.600 4.804 4.804 4.804 . 0 0 "[ ]" 1
210 1 20 ILE QG 1 110 PHE HZ 3.500 . 5.800 2.699 2.699 2.699 . 0 0 "[ ]" 1
211 1 20 ILE MG 1 31 VAL H 4.500 . 6.000 4.969 4.969 4.969 . 0 0 "[ ]" 1
212 1 20 ILE MG 1 31 VAL MG2 3.500 . 6.000 3.507 3.507 3.507 . 0 0 "[ ]" 1
213 1 20 ILE MG 1 39 PHE QD 3.500 . 7.400 4.117 4.117 4.117 . 0 0 "[ ]" 1
214 1 20 ILE MG 1 39 PHE QE 3.500 . 7.400 4.653 4.653 4.653 . 0 0 "[ ]" 1
215 1 20 ILE MG 1 45 TYR HB3 3.500 . 5.000 1.930 1.930 1.930 . 0 0 "[ ]" 1
216 1 20 ILE MG 1 45 TYR QD 2.500 . 6.400 2.269 2.269 2.269 . 0 0 "[ ]" 1
217 1 20 ILE MG 1 45 TYR QE 2.500 . 6.400 4.299 4.299 4.299 . 0 0 "[ ]" 1
218 1 20 ILE MG 1 47 LEU HA 3.500 . 5.000 2.257 2.257 2.257 . 0 0 "[ ]" 1
219 1 20 ILE MG 1 64 TRP HE3 4.500 . 6.000 5.036 5.036 5.036 . 0 0 "[ ]" 1
220 1 20 ILE MG 1 106 PHE HZ 3.500 . 4.000 2.293 2.293 2.293 . 0 0 "[ ]" 1
221 1 20 ILE MG 1 110 PHE HZ 4.500 . 6.000 4.133 4.133 4.133 . 0 0 "[ ]" 1
222 1 20 ILE MD 1 21 TRP H 4.500 . 6.000 4.254 4.254 4.254 . 0 0 "[ ]" 1
223 1 20 ILE MD 1 36 TYR HA 3.500 . 5.000 2.381 2.381 2.381 . 0 0 "[ ]" 1
224 1 20 ILE MD 1 36 TYR HB2 3.500 . 5.000 2.124 2.124 2.124 . 0 0 "[ ]" 1
225 1 20 ILE MD 1 36 TYR HB3 3.500 . 5.000 3.240 3.240 3.240 . 0 0 "[ ]" 1
226 1 20 ILE MD 1 39 PHE QD 4.500 . 8.400 2.621 2.621 2.621 . 0 0 "[ ]" 1
227 1 20 ILE MD 1 39 PHE QE 3.500 . 7.400 2.732 2.732 2.732 . 0 0 "[ ]" 1
228 1 20 ILE MD 1 45 TYR QD 4.500 . 8.400 3.195 3.195 3.195 . 0 0 "[ ]" 1
229 1 20 ILE MD 1 45 TYR QE 4.500 . 8.400 4.542 4.542 4.542 . 0 0 "[ ]" 1
230 1 20 ILE MD 1 47 LEU HA 4.500 . 6.000 4.333 4.333 4.333 . 0 0 "[ ]" 1
231 1 20 ILE MD 1 47 LEU HG 3.500 . 5.000 4.167 4.167 4.167 . 0 0 "[ ]" 1
232 1 20 ILE MD 1 106 PHE HZ 3.500 . 5.000 3.136 3.136 3.136 . 0 0 "[ ]" 1
233 1 20 ILE MD 1 110 PHE QD 3.500 . 7.400 4.351 4.351 4.351 . 0 0 "[ ]" 1
234 1 20 ILE MD 1 110 PHE QE 2.500 . 6.400 2.695 2.695 2.695 . 0 0 "[ ]" 1
235 1 20 ILE MD 1 110 PHE HZ 2.500 . 4.000 1.741 1.741 1.741 0.059 1 0 "[ ]" 1
236 1 20 ILE MD 1 114 LEU MD1 4.500 . 7.000 4.657 4.657 4.657 . 0 0 "[ ]" 1
237 1 20 ILE HA 1 21 TRP H 3.500 . 4.000 2.536 2.536 2.536 . 0 0 "[ ]" 1
238 1 20 ILE HB 1 21 TRP H 4.500 . 5.000 2.935 2.935 2.935 . 0 0 "[ ]" 1
239 1 20 ILE QG 1 21 TRP H 4.500 . 6.800 4.098 4.098 4.098 . 0 0 "[ ]" 1
240 1 20 ILE MG 1 21 TRP H 2.500 . 4.000 1.775 1.775 1.775 0.025 1 0 "[ ]" 1
241 1 21 TRP H 1 21 TRP HH2 3.500 . 7.400 7.047 7.047 7.047 . 0 0 "[ ]" 1
242 1 21 TRP H 1 21 TRP HZ3 3.500 . 5.400 5.246 5.246 5.246 . 0 0 "[ ]" 1
243 1 21 TRP H 1 22 ARG H 4.500 . 5.000 4.095 4.095 4.095 . 0 0 "[ ]" 1
244 1 21 TRP H 1 31 VAL MG1 5.500 . 7.000 4.443 4.443 4.443 . 0 0 "[ ]" 1
245 1 21 TRP H 1 31 VAL MG2 4.500 . 6.000 3.787 3.787 3.787 . 0 0 "[ ]" 1
246 1 21 TRP H 1 45 TYR HA 5.500 . 6.000 3.633 3.633 3.633 . 0 0 "[ ]" 1
247 1 21 TRP H 1 46 VAL MG2 4.500 . 6.000 4.560 4.560 4.560 . 0 0 "[ ]" 1
248 1 21 TRP H 1 47 LEU HA 3.500 . 4.000 3.724 3.724 3.724 . 0 0 "[ ]" 1
249 1 21 TRP HA 1 30 PRO HA 2.500 . 3.000 3.030 3.030 3.030 0.030 1 0 "[ ]" 1
250 1 21 TRP HA 1 31 VAL MG2 2.500 . 4.000 2.796 2.796 2.796 . 0 0 "[ ]" 1
251 1 21 TRP HB2 1 28 MET ME 2.500 . 4.000 1.856 1.856 1.856 . 0 0 "[ ]" 1
252 1 21 TRP HB2 1 31 VAL MG1 4.500 . 7.800 6.237 6.237 6.237 . 0 0 "[ ]" 1
253 1 21 TRP HB2 1 31 VAL MG2 3.500 . 6.800 4.961 4.961 4.961 . 0 0 "[ ]" 1
254 1 21 TRP HB2 1 46 VAL MG2 3.500 . 5.000 3.262 3.262 3.262 . 0 0 "[ ]" 1
255 1 21 TRP HB3 1 28 MET ME 3.500 . 5.000 2.069 2.069 2.069 . 0 0 "[ ]" 1
256 1 21 TRP HA 1 21 TRP HD1 3.500 . 4.000 3.174 3.174 3.174 . 0 0 "[ ]" 1
257 1 21 TRP HB3 1 21 TRP HD1 3.500 . 4.000 2.634 2.634 2.634 . 0 0 "[ ]" 1
258 1 21 TRP HB2 1 21 TRP HD1 3.500 . 4.000 3.801 3.801 3.801 . 0 0 "[ ]" 1
259 1 21 TRP HD1 1 22 ARG H 4.500 . 5.000 4.403 4.403 4.403 . 0 0 "[ ]" 1
260 1 21 TRP HD1 1 28 MET QB 4.500 . 6.800 4.082 4.082 4.082 . 0 0 "[ ]" 1
261 1 21 TRP HD1 1 29 VAL HA 3.500 . 4.000 3.547 3.547 3.547 . 0 0 "[ ]" 1
262 1 21 TRP HD1 1 29 VAL H 4.500 . 5.000 3.169 3.169 3.169 . 0 0 "[ ]" 1
263 1 21 TRP HD1 1 29 VAL MG1 4.500 . 6.000 4.412 4.412 4.412 . 0 0 "[ ]" 1
264 1 21 TRP HD1 1 29 VAL MG2 4.500 . 6.000 5.043 5.043 5.043 . 0 0 "[ ]" 1
265 1 21 TRP HD1 1 30 PRO HA 2.500 . 3.000 2.486 2.486 2.486 . 0 0 "[ ]" 1
266 1 21 TRP HD1 1 30 PRO QB 3.500 . 5.800 3.664 3.664 3.664 . 0 0 "[ ]" 1
267 1 21 TRP HD1 1 30 PRO QG 3.500 . 5.800 4.604 4.604 4.604 . 0 0 "[ ]" 1
268 1 21 TRP HD1 1 30 PRO QD 3.500 . 5.800 3.505 3.505 3.505 . 0 0 "[ ]" 1
269 1 21 TRP HD1 1 31 VAL H 4.500 . 5.000 3.924 3.924 3.924 . 0 0 "[ ]" 1
270 1 7 VAL MG1 1 21 TRP HE1 4.500 . 6.000 1.920 1.920 1.920 . 0 0 "[ ]" 1
271 1 7 VAL MG2 1 21 TRP HE1 3.500 . 5.000 2.247 2.247 2.247 . 0 0 "[ ]" 1
272 1 20 ILE HA 1 21 TRP HE3 2.500 . 3.000 2.752 2.752 2.752 . 0 0 "[ ]" 1
273 1 20 ILE QG 1 21 TRP HE3 4.500 . 6.800 5.101 5.101 5.101 . 0 0 "[ ]" 1
274 1 21 TRP H 1 21 TRP HE3 2.500 . 3.000 3.061 3.061 3.061 0.061 1 0 "[ ]" 1
275 1 21 TRP HA 1 21 TRP HE3 4.500 . 5.000 4.143 4.143 4.143 . 0 0 "[ ]" 1
276 1 21 TRP HE3 1 46 VAL HB 3.500 . 4.000 2.708 2.708 2.708 . 0 0 "[ ]" 1
277 1 21 TRP HE3 1 46 VAL MG1 2.500 . 4.000 2.573 2.573 2.573 . 0 0 "[ ]" 1
278 1 21 TRP HE3 1 47 LEU HA 3.500 . 4.000 3.433 3.433 3.433 . 0 0 "[ ]" 1
279 1 21 TRP HE3 1 48 LEU H 4.500 . 5.000 3.525 3.525 3.525 . 0 0 "[ ]" 1
280 1 21 TRP HE3 1 48 LEU HB3 4.500 . 5.000 4.264 4.264 4.264 . 0 0 "[ ]" 1
281 1 21 TRP HE3 1 84 MET ME 3.500 . 5.000 3.095 3.095 3.095 . 0 0 "[ ]" 1
282 1 21 TRP HH2 1 47 LEU HA 3.500 . 6.400 6.179 6.179 6.179 . 0 0 "[ ]" 1
283 1 21 TRP HH2 1 48 LEU HA 3.500 . 6.400 5.383 5.383 5.383 . 0 0 "[ ]" 1
284 1 21 TRP HH2 1 48 LEU HB3 2.500 . 5.400 2.643 2.643 2.643 . 0 0 "[ ]" 1
285 1 21 TRP HH2 1 61 ILE MG 3.500 . 7.400 5.429 5.429 5.429 . 0 0 "[ ]" 1
286 1 21 TRP HH2 1 84 MET ME 2.500 . 6.400 2.916 2.916 2.916 . 0 0 "[ ]" 1
287 1 21 TRP HH2 1 88 LEU MD1 3.500 . 7.400 4.942 4.942 4.942 . 0 0 "[ ]" 1
288 1 21 TRP HZ2 1 48 LEU HB3 4.500 . 5.000 5.029 5.029 5.029 0.029 1 0 "[ ]" 1
289 1 21 TRP HZ3 1 47 LEU HA 3.500 . 6.400 3.836 3.836 3.836 . 0 0 "[ ]" 1
290 1 21 TRP HZ3 1 48 LEU HA 3.500 . 6.400 3.783 3.783 3.783 . 0 0 "[ ]" 1
291 1 21 TRP HZ3 1 48 LEU HB3 2.500 . 5.400 1.857 1.857 1.857 . 0 0 "[ ]" 1
292 1 21 TRP HZ3 1 61 ILE MG 3.500 . 7.400 4.127 4.127 4.127 . 0 0 "[ ]" 1
293 1 21 TRP HZ3 1 84 MET ME 2.500 . 6.400 2.716 2.716 2.716 . 0 0 "[ ]" 1
294 1 21 TRP HZ3 1 88 LEU MD1 4.500 . 8.400 5.528 5.528 5.528 . 0 0 "[ ]" 1
295 1 21 TRP HA 1 22 ARG H 2.500 . 3.000 2.212 2.212 2.212 . 0 0 "[ ]" 1
296 1 21 TRP HB3 1 22 ARG H 4.500 . 5.000 3.600 3.600 3.600 . 0 0 "[ ]" 1
297 1 21 TRP HB2 1 22 ARG H 4.500 . 6.800 4.472 4.472 4.472 . 0 0 "[ ]" 1
298 1 22 ARG H 1 23 ILE HA 5.500 . 6.000 5.380 5.380 5.380 . 0 0 "[ ]" 1
299 1 22 ARG H 1 23 ILE QG 4.500 . 6.800 4.927 4.927 4.927 . 0 0 "[ ]" 1
300 1 22 ARG H 1 28 MET HA 4.500 . 5.000 5.024 5.024 5.024 0.024 1 0 "[ ]" 1
301 1 22 ARG H 1 29 VAL H 3.500 . 4.000 3.257 3.257 3.257 . 0 0 "[ ]" 1
302 1 22 ARG H 1 29 VAL HB 4.500 . 5.000 3.381 3.381 3.381 . 0 0 "[ ]" 1
303 1 22 ARG H 1 29 VAL MG2 4.500 . 6.000 4.800 4.800 4.800 . 0 0 "[ ]" 1
304 1 22 ARG H 1 30 PRO HA 4.500 . 5.000 4.329 4.329 4.329 . 0 0 "[ ]" 1
305 1 22 ARG H 1 31 VAL H 3.500 . 4.000 3.453 3.453 3.453 . 0 0 "[ ]" 1
306 1 22 ARG H 1 31 VAL MG1 3.500 . 6.800 4.205 4.205 4.205 . 0 0 "[ ]" 1
307 1 22 ARG H 1 31 VAL MG2 3.500 . 6.800 1.777 1.777 1.777 0.023 1 0 "[ ]" 1
308 1 22 ARG H 1 45 TYR QD 4.500 . 7.400 4.257 4.257 4.257 . 0 0 "[ ]" 1
309 1 22 ARG H 1 45 TYR QE 4.500 . 7.400 4.326 4.326 4.326 . 0 0 "[ ]" 1
310 1 22 ARG HA 1 45 TYR HA 2.500 . 3.000 3.022 3.022 3.022 0.022 1 0 "[ ]" 1
311 1 22 ARG QD 1 45 TYR QD 3.500 . 8.200 4.827 4.827 4.827 . 0 0 "[ ]" 1
312 1 22 ARG QD 1 31 VAL MG1 3.500 . 6.800 3.466 3.466 3.466 . 0 0 "[ ]" 1
313 1 22 ARG QD 1 31 VAL MG2 3.500 . 6.800 1.626 1.626 1.626 0.174 1 0 "[ ]" 1
314 1 22 ARG H 1 23 ILE H 4.500 . 5.000 4.580 4.580 4.580 . 0 0 "[ ]" 1
315 1 22 ARG HA 1 23 ILE H 2.500 . 3.000 2.164 2.164 2.164 . 0 0 "[ ]" 1
316 1 23 ILE H 1 23 ILE HB 2.500 . 3.000 2.511 2.511 2.511 . 0 0 "[ ]" 1
317 1 23 ILE H 1 45 TYR HA 3.500 . 4.000 3.319 3.319 3.319 . 0 0 "[ ]" 1
318 1 23 ILE H 1 45 TYR QD 4.500 . 7.400 3.635 3.635 3.635 . 0 0 "[ ]" 1
319 1 23 ILE H 1 45 TYR QE 4.500 . 7.400 3.496 3.496 3.496 . 0 0 "[ ]" 1
320 1 23 ILE H 1 46 VAL H 4.500 . 5.000 4.990 4.990 4.990 . 0 0 "[ ]" 1
321 1 23 ILE HA 1 28 MET HA 2.500 . 3.000 2.420 2.420 2.420 . 0 0 "[ ]" 1
322 1 23 ILE HB 1 44 CYS HA 4.500 . 5.000 3.891 3.891 3.891 . 0 0 "[ ]" 1
323 1 23 ILE HB 1 44 CYS HB3 3.500 . 4.000 3.241 3.241 3.241 . 0 0 "[ ]" 1
324 1 23 ILE QG 1 44 CYS HB3 3.500 . 5.800 1.864 1.864 1.864 . 0 0 "[ ]" 1
325 1 23 ILE QG 1 46 VAL H 4.500 . 6.800 3.180 3.180 3.180 . 0 0 "[ ]" 1
326 1 23 ILE MG 1 26 MET HA 2.500 . 4.000 2.574 2.574 2.574 . 0 0 "[ ]" 1
327 1 23 ILE MG 1 26 MET ME 3.500 . 6.000 3.955 3.955 3.955 . 0 0 "[ ]" 1
328 1 23 ILE MG 1 44 CYS HB3 2.500 . 4.000 3.193 3.193 3.193 . 0 0 "[ ]" 1
329 1 23 ILE MG 1 73 GLU QG 3.500 . 6.800 2.133 2.133 2.133 . 0 0 "[ ]" 1
330 1 23 ILE MG 1 77 ALA H 4.500 . 6.000 3.506 3.506 3.506 . 0 0 "[ ]" 1
331 1 23 ILE MG 1 77 ALA MB 3.500 . 6.000 3.042 3.042 3.042 . 0 0 "[ ]" 1
332 1 22 ARG HA 1 23 ILE MD 4.500 . 6.000 4.756 4.756 4.756 . 0 0 "[ ]" 1
333 1 23 ILE MD 1 44 CYS HB3 3.500 . 5.000 3.339 3.339 3.339 . 0 0 "[ ]" 1
334 1 23 ILE MD 1 44 CYS HB2 3.500 . 5.000 3.310 3.310 3.310 . 0 0 "[ ]" 1
335 1 23 ILE MD 1 45 TYR HA 3.500 . 5.000 4.137 4.137 4.137 . 0 0 "[ ]" 1
336 1 23 ILE MD 1 46 VAL H 4.500 . 6.000 3.764 3.764 3.764 . 0 0 "[ ]" 1
337 1 23 ILE MD 1 77 ALA MB 2.500 . 5.000 2.573 2.573 2.573 . 0 0 "[ ]" 1
338 1 23 ILE MD 1 80 TYR H 4.500 . 6.000 4.990 4.990 4.990 . 0 0 "[ ]" 1
339 1 23 ILE HA 1 24 GLU H 3.500 . 4.000 2.945 2.945 2.945 . 0 0 "[ ]" 1
340 1 23 ILE QG 1 24 GLU H 4.500 . 6.800 4.455 4.455 4.455 . 0 0 "[ ]" 1
341 1 23 ILE MG 1 24 GLU H 3.500 . 5.000 4.132 4.132 4.132 . 0 0 "[ ]" 1
342 1 23 ILE MD 1 24 GLU H 4.500 . 6.000 4.697 4.697 4.697 . 0 0 "[ ]" 1
343 1 24 GLU H 1 27 GLU H 3.500 . 4.000 4.029 4.029 4.029 0.029 1 0 "[ ]" 1
344 1 23 ILE MG 1 25 ASN H 5.500 . 7.000 5.569 5.569 5.569 . 0 0 "[ ]" 1
345 1 24 GLU HA 1 25 ASN H 3.500 . 4.000 2.441 2.441 2.441 . 0 0 "[ ]" 1
346 1 24 GLU QB 1 25 ASN H 3.500 . 5.800 2.400 2.400 2.400 . 0 0 "[ ]" 1
347 1 25 ASN H 1 25 ASN HA 2.500 . 3.000 2.357 2.357 2.357 . 0 0 "[ ]" 1
348 1 25 ASN H 1 26 MET H 3.500 . 4.000 2.870 2.870 2.870 . 0 0 "[ ]" 1
349 1 25 ASN H 1 121 VAL MG1 4.500 . 7.800 2.892 2.892 2.892 . 0 0 "[ ]" 1
350 1 25 ASN H 1 121 VAL MG2 4.500 . 7.800 5.116 5.116 5.116 . 0 0 "[ ]" 1
351 1 23 ILE MG 1 26 MET H 3.500 . 5.000 3.624 3.624 3.624 . 0 0 "[ ]" 1
352 1 25 ASN HA 1 26 MET H 3.500 . 4.000 2.998 2.998 2.998 . 0 0 "[ ]" 1
353 1 25 ASN HB3 1 26 MET H 4.500 . 5.000 4.542 4.542 4.542 . 0 0 "[ ]" 1
354 1 25 ASN HB2 1 26 MET H 4.500 . 5.000 4.526 4.526 4.526 . 0 0 "[ ]" 1
355 1 26 MET H 1 26 MET HA 2.500 . 3.000 2.341 2.341 2.341 . 0 0 "[ ]" 1
356 1 26 MET H 1 27 GLU H 3.500 . 4.000 2.902 2.902 2.902 . 0 0 "[ ]" 1
357 1 26 MET HB2 1 73 GLU QG 3.500 . 5.800 5.036 5.036 5.036 . 0 0 "[ ]" 1
358 1 23 ILE MG 1 27 GLU H 3.500 . 5.000 2.398 2.398 2.398 . 0 0 "[ ]" 1
359 1 26 MET HA 1 27 GLU H 3.500 . 4.000 2.691 2.691 2.691 . 0 0 "[ ]" 1
360 1 27 GLU HA 1 28 MET H 3.500 . 4.000 2.212 2.212 2.212 . 0 0 "[ ]" 1
361 1 27 GLU QB 1 28 MET H 3.500 . 5.800 3.132 3.132 3.132 . 0 0 "[ ]" 1
362 1 27 GLU QG 1 28 MET H 4.500 . 6.800 4.111 4.111 4.111 . 0 0 "[ ]" 1
363 1 28 MET H 1 28 MET QB 2.500 . 4.800 2.133 2.133 2.133 . 0 0 "[ ]" 1
364 1 28 MET HA 1 29 VAL HB 3.500 . 4.000 4.054 4.054 4.054 0.054 1 0 "[ ]" 1
365 1 21 TRP HB3 1 29 VAL H 4.500 . 5.000 2.589 2.589 2.589 . 0 0 "[ ]" 1
366 1 28 MET HA 1 29 VAL H 2.500 . 3.000 2.256 2.256 2.256 . 0 0 "[ ]" 1
367 1 28 MET QB 1 29 VAL H 3.500 . 5.800 3.307 3.307 3.307 . 0 0 "[ ]" 1
368 1 23 ILE MD 1 29 VAL H 3.500 . 5.000 3.527 3.527 3.527 . 0 0 "[ ]" 1
369 1 29 VAL H 1 29 VAL HB 2.500 . 3.000 2.762 2.762 2.762 . 0 0 "[ ]" 1
370 1 29 VAL HA 1 30 PRO QB 3.500 . 5.800 4.563 4.563 4.563 . 0 0 "[ ]" 1
371 1 29 VAL HA 1 30 PRO QD 2.500 . 4.800 1.922 1.922 1.922 . 0 0 "[ ]" 1
372 1 29 VAL MG1 1 31 VAL HA 3.500 . 5.000 3.826 3.826 3.826 . 0 0 "[ ]" 1
373 1 27 GLU QG 1 29 VAL MG2 4.500 . 7.800 5.087 5.087 5.087 . 0 0 "[ ]" 1
374 1 30 PRO HA 1 31 VAL MG2 4.500 . 6.000 4.135 4.135 4.135 . 0 0 "[ ]" 1
375 1 29 VAL MG1 1 30 PRO QD 2.500 . 5.800 1.761 1.761 1.761 0.039 1 0 "[ ]" 1
376 1 20 ILE H 1 31 VAL H 4.500 . 5.000 4.462 4.462 4.462 . 0 0 "[ ]" 1
377 1 21 TRP HA 1 31 VAL H 3.500 . 4.000 2.164 2.164 2.164 . 0 0 "[ ]" 1
378 1 30 PRO HA 1 31 VAL H 2.500 . 3.000 2.169 2.169 2.169 . 0 0 "[ ]" 1
379 1 30 PRO QB 1 31 VAL H 3.500 . 5.800 3.578 3.578 3.578 . 0 0 "[ ]" 1
380 1 31 VAL HA 1 32 PRO QD 2.500 . 4.800 1.907 1.907 1.907 . 0 0 "[ ]" 1
381 1 20 ILE MD 1 31 VAL MG1 4.500 . 7.000 2.542 2.542 2.542 . 0 0 "[ ]" 1
382 1 31 VAL MG1 1 33 THR HA 3.500 . 6.800 4.448 4.448 4.448 . 0 0 "[ ]" 1
383 1 31 VAL MG1 1 36 TYR HA 2.500 . 5.800 2.433 2.433 2.433 . 0 0 "[ ]" 1
384 1 31 VAL MG1 1 36 TYR HB3 3.500 . 6.800 3.000 3.000 3.000 . 0 0 "[ ]" 1
385 1 31 VAL MG1 1 39 PHE QE 4.500 . 10.200 4.870 4.870 4.870 . 0 0 "[ ]" 1
386 1 31 VAL MG1 1 45 TYR HA 4.500 . 7.800 6.095 6.095 6.095 . 0 0 "[ ]" 1
387 1 31 VAL MG1 1 46 VAL H 5.500 . 8.800 6.590 6.590 6.590 . 0 0 "[ ]" 1
388 1 20 ILE MD 1 31 VAL MG2 3.500 . 6.000 3.977 3.977 3.977 . 0 0 "[ ]" 1
389 1 31 VAL MG2 1 33 THR HA 5.500 . 8.800 6.960 6.960 6.960 . 0 0 "[ ]" 1
390 1 31 VAL MG2 1 36 TYR HA 2.500 . 5.800 4.532 4.532 4.532 . 0 0 "[ ]" 1
391 1 31 VAL MG2 1 36 TYR HB3 3.500 . 6.800 5.655 5.655 5.655 . 0 0 "[ ]" 1
392 1 31 VAL MG2 1 39 PHE QE 4.500 . 10.200 6.361 6.361 6.361 . 0 0 "[ ]" 1
393 1 31 VAL MG2 1 45 TYR HA 4.500 . 7.800 4.753 4.753 4.753 . 0 0 "[ ]" 1
394 1 31 VAL MG2 1 45 TYR QD 3.500 . 7.400 2.905 2.905 2.905 . 0 0 "[ ]" 1
395 1 31 VAL MG2 1 45 TYR QE 2.500 . 6.400 2.735 2.735 2.735 . 0 0 "[ ]" 1
396 1 31 VAL MG2 1 46 VAL H 5.500 . 8.800 5.382 5.382 5.382 . 0 0 "[ ]" 1
397 1 32 PRO QG 1 34 LYS QG 3.500 . 7.600 3.955 3.955 3.955 . 0 0 "[ ]" 1
398 1 31 VAL MG1 1 32 PRO QD 2.500 . 7.600 2.995 2.995 2.995 . 0 0 "[ ]" 1
399 1 31 VAL MG2 1 32 PRO QD 2.500 . 7.600 3.519 3.519 3.519 . 0 0 "[ ]" 1
400 1 32 PRO HA 1 33 THR H 2.500 . 3.000 2.834 2.834 2.834 . 0 0 "[ ]" 1
401 1 32 PRO QB 1 33 THR H 3.500 . 5.800 1.863 1.863 1.863 . 0 0 "[ ]" 1
402 1 33 THR H 1 33 THR HA 2.500 . 3.000 2.944 2.944 2.944 . 0 0 "[ ]" 1
403 1 32 PRO HA 1 34 LYS H 4.500 . 5.000 4.270 4.270 4.270 . 0 0 "[ ]" 1
404 1 32 PRO QB 1 34 LYS H 4.500 . 6.800 2.339 2.339 2.339 . 0 0 "[ ]" 1
405 1 34 LYS H 1 35 SER H 2.500 . 3.000 2.510 2.510 2.510 . 0 0 "[ ]" 1
406 1 33 THR MG 1 34 LYS HA 4.500 . 6.000 5.041 5.041 5.041 . 0 0 "[ ]" 1
407 1 31 VAL MG1 1 35 SER H 4.500 . 7.800 3.563 3.563 3.563 . 0 0 "[ ]" 1
408 1 31 VAL MG2 1 35 SER H 4.500 . 7.800 5.432 5.432 5.432 . 0 0 "[ ]" 1
409 1 33 THR HA 1 35 SER H 4.500 . 5.000 3.623 3.623 3.623 . 0 0 "[ ]" 1
410 1 34 LYS HA 1 35 SER H 3.500 . 4.000 3.454 3.454 3.454 . 0 0 "[ ]" 1
411 1 34 LYS QB 1 35 SER H 3.500 . 5.800 3.067 3.067 3.067 . 0 0 "[ ]" 1
412 1 34 LYS QG 1 35 SER H 4.500 . 6.800 4.492 4.492 4.492 . 0 0 "[ ]" 1
413 1 35 SER H 1 35 SER HB2 2.500 . 3.000 2.551 2.551 2.551 . 0 0 "[ ]" 1
414 1 35 SER H 1 36 TYR H 2.500 . 3.000 1.855 1.855 1.855 . 0 0 "[ ]" 1
415 1 35 SER H 1 36 TYR QE 4.500 . 7.400 5.040 5.040 5.040 . 0 0 "[ ]" 1
416 1 31 VAL MG1 1 35 SER HB2 2.500 . 4.000 2.831 2.831 2.831 . 0 0 "[ ]" 1
417 1 31 VAL MG1 1 35 SER HB3 2.500 . 4.000 3.051 3.051 3.051 . 0 0 "[ ]" 1
418 1 31 VAL MG1 1 36 TYR H 4.500 . 6.000 3.180 3.180 3.180 . 0 0 "[ ]" 1
419 1 33 THR HA 1 36 TYR H 4.500 . 5.000 2.867 2.867 2.867 . 0 0 "[ ]" 1
420 1 35 SER HA 1 36 TYR H 3.500 . 4.000 3.362 3.362 3.362 . 0 0 "[ ]" 1
421 1 36 TYR H 1 36 TYR HB3 2.500 . 3.000 2.339 2.339 2.339 . 0 0 "[ ]" 1
422 1 36 TYR HA 1 110 PHE QE 3.500 . 6.400 3.395 3.395 3.395 . 0 0 "[ ]" 1
423 1 36 TYR HB2 1 110 PHE QE 3.500 . 6.400 2.234 2.234 2.234 . 0 0 "[ ]" 1
424 1 36 TYR HB3 1 110 PHE QE 3.500 . 6.400 3.778 3.778 3.778 . 0 0 "[ ]" 1
425 1 33 THR HA 1 36 TYR QE 2.500 . 5.400 3.896 3.896 3.896 . 0 0 "[ ]" 1
426 1 36 TYR HB2 1 37 GLY H 4.500 . 5.000 3.266 3.266 3.266 . 0 0 "[ ]" 1
427 1 36 TYR QE 1 37 GLY H 3.500 . 6.400 5.890 5.890 5.890 . 0 0 "[ ]" 1
428 1 37 GLY H 1 38 ASN H 3.500 . 4.000 3.473 3.473 3.473 . 0 0 "[ ]" 1
429 1 37 GLY QA 1 39 PHE QD 3.500 . 8.200 3.653 3.653 3.653 . 0 0 "[ ]" 1
430 1 37 GLY QA 1 39 PHE QE 3.500 . 8.200 2.158 2.158 2.158 . 0 0 "[ ]" 1
431 1 37 GLY QA 1 110 PHE QD 3.500 . 8.200 2.773 2.773 2.773 . 0 0 "[ ]" 1
432 1 37 GLY QA 1 110 PHE QE 3.500 . 8.200 2.724 2.724 2.724 . 0 0 "[ ]" 1
433 1 37 GLY QA 1 38 ASN H 4.500 . 6.800 2.452 2.452 2.452 . 0 0 "[ ]" 1
434 1 38 ASN H 1 38 ASN HB2 2.500 . 3.000 2.806 2.806 2.806 . 0 0 "[ ]" 1
435 1 38 ASN HA 1 39 PHE HA 4.500 . 5.000 4.473 4.473 4.473 . 0 0 "[ ]" 1
436 1 38 ASN HA 1 115 ILE HA 4.500 . 5.000 3.977 3.977 3.977 . 0 0 "[ ]" 1
437 1 38 ASN HA 1 115 ILE HB 2.500 . 3.000 1.865 1.865 1.865 . 0 0 "[ ]" 1
438 1 38 ASN HA 1 115 ILE QG 4.500 . 6.800 3.920 3.920 3.920 . 0 0 "[ ]" 1
439 1 38 ASN HA 1 115 ILE MG 2.500 . 4.000 2.298 2.298 2.298 . 0 0 "[ ]" 1
440 1 38 ASN QD 1 115 ILE MG 3.500 . 6.800 3.616 3.616 3.616 . 0 0 "[ ]" 1
441 1 38 ASN HB3 1 116 TYR HA 4.500 . 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1
442 1 38 ASN HB3 1 117 LYS QD 2.500 . 4.800 3.788 3.788 3.788 . 0 0 "[ ]" 1
443 1 38 ASN HB2 1 117 LYS QD 3.500 . 5.800 5.051 5.051 5.051 . 0 0 "[ ]" 1
444 1 38 ASN HA 1 39 PHE H 2.500 . 3.000 2.356 2.356 2.356 . 0 0 "[ ]" 1
445 1 39 PHE H 1 39 PHE QD 3.500 . 6.400 2.791 2.791 2.791 . 0 0 "[ ]" 1
446 1 39 PHE H 1 115 ILE MG 4.500 . 6.000 3.682 3.682 3.682 . 0 0 "[ ]" 1
447 1 39 PHE H 1 115 ILE MD 5.500 . 7.000 5.783 5.783 5.783 . 0 0 "[ ]" 1
448 1 39 PHE H 1 116 TYR HA 3.500 . 4.000 3.042 3.042 3.042 . 0 0 "[ ]" 1
449 1 39 PHE HA 1 45 TYR QE 2.500 . 5.400 3.115 3.115 3.115 . 0 0 "[ ]" 1
450 1 39 PHE HA 1 117 LYS QG 3.500 . 5.800 4.528 4.528 4.528 . 0 0 "[ ]" 1
451 1 39 PHE HB2 1 45 TYR QE 3.500 . 6.400 2.924 2.924 2.924 . 0 0 "[ ]" 1
452 1 39 PHE HB3 1 45 TYR QE 3.500 . 6.400 2.239 2.239 2.239 . 0 0 "[ ]" 1
453 1 38 ASN HA 1 39 PHE QD 4.500 . 7.400 4.504 4.504 4.504 . 0 0 "[ ]" 1
454 1 39 PHE QD 1 45 TYR HB2 4.500 . 7.400 4.852 4.852 4.852 . 0 0 "[ ]" 1
455 1 39 PHE QD 1 45 TYR HB3 3.500 . 6.400 4.838 4.838 4.838 . 0 0 "[ ]" 1
456 1 39 PHE QD 1 45 TYR QD 2.500 . 7.800 3.801 3.801 3.801 . 0 0 "[ ]" 1
457 1 39 PHE QD 1 45 TYR QE 3.500 . 8.800 3.939 3.939 3.939 . 0 0 "[ ]" 1
458 1 39 PHE QD 1 64 TRP HE3 3.500 . 6.400 4.604 4.604 4.604 . 0 0 "[ ]" 1
459 1 39 PHE QD 1 64 TRP HZ3 4.500 . 7.400 3.426 3.426 3.426 . 0 0 "[ ]" 1
460 1 39 PHE QD 1 110 PHE QE 4.500 . 9.800 4.342 4.342 4.342 . 0 0 "[ ]" 1
461 1 39 PHE QD 1 110 PHE HZ 4.500 . 6.000 4.598 4.598 4.598 . 0 0 "[ ]" 1
462 1 39 PHE QD 1 114 LEU HA 3.500 . 6.400 5.497 5.497 5.497 . 0 0 "[ ]" 1
463 1 39 PHE QD 1 116 TYR QD 3.500 . 8.800 2.962 2.962 2.962 . 0 0 "[ ]" 1
464 1 39 PHE QD 1 116 TYR QE 3.500 . 8.800 4.201 4.201 4.201 . 0 0 "[ ]" 1
465 1 39 PHE QE 1 47 LEU MD1 3.500 . 7.400 4.684 4.684 4.684 . 0 0 "[ ]" 1
466 1 39 PHE QE 1 110 PHE QD 3.500 . 8.800 3.871 3.871 3.871 . 0 0 "[ ]" 1
467 1 39 PHE QE 1 110 PHE QE 3.500 . 8.800 2.828 2.828 2.828 . 0 0 "[ ]" 1
468 1 39 PHE QE 1 110 PHE HZ 3.500 . 6.400 3.311 3.311 3.311 . 0 0 "[ ]" 1
469 1 39 PHE QE 1 114 LEU HA 3.500 . 6.400 3.999 3.999 3.999 . 0 0 "[ ]" 1
470 1 39 PHE QE 1 114 LEU HB3 4.500 . 7.400 2.439 2.439 2.439 . 0 0 "[ ]" 1
471 1 39 PHE HZ 1 110 PHE QD 3.500 . 6.400 4.379 4.379 4.379 . 0 0 "[ ]" 1
472 1 39 PHE HZ 1 110 PHE QE 2.500 . 5.400 4.413 4.413 4.413 . 0 0 "[ ]" 1
473 1 39 PHE HZ 1 110 PHE HZ 4.500 . 5.000 5.007 5.007 5.007 0.007 1 0 "[ ]" 1
474 1 39 PHE HA 1 40 TYR H 2.500 . 3.000 2.197 2.197 2.197 . 0 0 "[ ]" 1
475 1 40 TYR H 1 45 TYR QE 3.500 . 6.400 3.385 3.385 3.385 . 0 0 "[ ]" 1
476 1 40 TYR HA 1 45 TYR QE 4.500 . 7.400 4.723 4.723 4.723 . 0 0 "[ ]" 1
477 1 40 TYR HA 1 116 TYR HA 4.500 . 5.000 3.681 3.681 3.681 . 0 0 "[ ]" 1
478 1 40 TYR HA 1 117 LYS HA 4.500 . 5.000 4.013 4.013 4.013 . 0 0 "[ ]" 1
479 1 40 TYR HA 1 117 LYS HB2 2.500 . 3.000 2.717 2.717 2.717 . 0 0 "[ ]" 1
480 1 40 TYR HA 1 117 LYS HB3 3.500 . 4.000 3.833 3.833 3.833 . 0 0 "[ ]" 1
481 1 40 TYR HB2 1 42 GLY QA 4.500 . 6.800 5.370 5.370 5.370 . 0 0 "[ ]" 1
482 1 40 TYR HB2 1 43 ASP H 4.500 . 5.000 4.831 4.831 4.831 . 0 0 "[ ]" 1
483 1 40 TYR HB3 1 43 ASP H 4.500 . 5.000 5.031 5.031 5.031 0.031 1 0 "[ ]" 1
484 1 40 TYR HB3 1 45 TYR QE 3.500 . 6.400 4.034 4.034 4.034 . 0 0 "[ ]" 1
485 1 40 TYR HB3 1 118 GLN HA 3.500 . 4.000 3.996 3.996 3.996 . 0 0 "[ ]" 1
486 1 40 TYR QD 1 117 LYS QD 3.500 . 8.200 4.308 4.308 4.308 . 0 0 "[ ]" 1
487 1 40 TYR QD 1 118 GLN HA 3.500 . 6.400 3.688 3.688 3.688 . 0 0 "[ ]" 1
488 1 40 TYR QD 1 119 GLY QA 3.500 . 8.200 3.043 3.043 3.043 . 0 0 "[ ]" 1
489 1 40 TYR QE 1 117 LYS HA 3.500 . 6.400 4.668 4.668 4.668 . 0 0 "[ ]" 1
490 1 40 TYR QE 1 118 GLN HA 4.500 . 7.400 5.336 5.336 5.336 . 0 0 "[ ]" 1
491 1 40 TYR QE 1 119 GLY QA 3.500 . 8.200 4.223 4.223 4.223 . 0 0 "[ ]" 1
492 1 40 TYR HA 1 41 GLU H 2.500 . 3.000 2.286 2.286 2.286 . 0 0 "[ ]" 1
493 1 40 TYR HB2 1 41 GLU H 4.500 . 6.800 3.892 3.892 3.892 . 0 0 "[ ]" 1
494 1 40 TYR HB3 1 41 GLU H 4.500 . 6.800 2.902 2.902 2.902 . 0 0 "[ ]" 1
495 1 40 TYR QD 1 41 GLU H 3.500 . 6.400 3.824 3.824 3.824 . 0 0 "[ ]" 1
496 1 41 GLU H 1 42 GLY H 4.500 . 5.000 2.352 2.352 2.352 . 0 0 "[ ]" 1
497 1 41 GLU H 1 117 LYS HB2 4.500 . 5.000 4.794 4.794 4.794 . 0 0 "[ ]" 1
498 1 41 GLU HA 1 43 ASP H 3.500 . 4.000 4.057 4.057 4.057 0.057 1 0 "[ ]" 1
499 1 41 GLU HA 1 45 TYR QE 4.500 . 7.400 4.922 4.922 4.922 . 0 0 "[ ]" 1
500 1 41 GLU HA 1 64 TRP HZ3 2.500 . 3.000 2.865 2.865 2.865 . 0 0 "[ ]" 1
501 1 41 GLU HA 1 66 GLY QA 3.500 . 5.800 3.761 3.761 3.761 . 0 0 "[ ]" 1
502 1 41 GLU HB2 1 116 TYR HB2 3.500 . 4.000 3.882 3.882 3.882 . 0 0 "[ ]" 1
503 1 41 GLU QG 1 118 GLN HA 3.500 . 5.800 3.396 3.396 3.396 . 0 0 "[ ]" 1
504 1 40 TYR HB2 1 42 GLY H 4.500 . 6.800 4.467 4.467 4.467 . 0 0 "[ ]" 1
505 1 40 TYR HB3 1 42 GLY H 4.500 . 6.800 3.369 3.369 3.369 . 0 0 "[ ]" 1
506 1 41 GLU HB2 1 42 GLY H 4.500 . 5.000 3.817 3.817 3.817 . 0 0 "[ ]" 1
507 1 42 GLY H 1 43 ASP H 3.500 . 4.000 3.718 3.718 3.718 . 0 0 "[ ]" 1
508 1 42 GLY QA 1 68 ASN HB2 3.500 . 5.800 1.804 1.804 1.804 . 0 0 "[ ]" 1
509 1 42 GLY QA 1 68 ASN HB3 3.500 . 5.800 2.512 2.512 2.512 . 0 0 "[ ]" 1
510 1 42 GLY QA 1 68 ASN HA 4.500 . 6.800 3.901 3.901 3.901 . 0 0 "[ ]" 1
511 1 43 ASP H 1 43 ASP HA 2.500 . 3.000 2.916 2.916 2.916 . 0 0 "[ ]" 1
512 1 43 ASP H 1 45 TYR QD 4.500 . 7.400 4.711 4.711 4.711 . 0 0 "[ ]" 1
513 1 43 ASP H 1 45 TYR QE 3.500 . 6.400 4.312 4.312 4.312 . 0 0 "[ ]" 1
514 1 43 ASP H 1 66 GLY H 3.500 . 4.000 3.681 3.681 3.681 . 0 0 "[ ]" 1
515 1 43 ASP HA 1 69 SER HA 4.500 . 5.000 4.448 4.448 4.448 . 0 0 "[ ]" 1
516 1 43 ASP HA 1 69 SER HB3 3.500 . 4.000 2.772 2.772 2.772 . 0 0 "[ ]" 1
517 1 43 ASP HA 1 69 SER HB2 4.500 . 5.000 4.528 4.528 4.528 . 0 0 "[ ]" 1
518 1 23 ILE HB 1 44 CYS H 4.500 . 5.000 1.902 1.902 1.902 . 0 0 "[ ]" 1
519 1 43 ASP HA 1 44 CYS H 3.500 . 4.000 3.021 3.021 3.021 . 0 0 "[ ]" 1
520 1 43 ASP HA 1 44 CYS HA 4.500 . 5.000 4.669 4.669 4.669 . 0 0 "[ ]" 1
521 1 44 CYS HA 1 45 TYR HA 4.500 . 5.000 4.511 4.511 4.511 . 0 0 "[ ]" 1
522 1 44 CYS HA 1 45 TYR QD 3.500 . 6.400 3.078 3.078 3.078 . 0 0 "[ ]" 1
523 1 44 CYS HA 1 45 TYR QE 4.500 . 7.400 4.810 4.810 4.810 . 0 0 "[ ]" 1
524 1 44 CYS HA 1 64 TRP HE3 4.500 . 5.000 3.254 3.254 3.254 . 0 0 "[ ]" 1
525 1 44 CYS HA 1 65 LEU HA 3.500 . 4.000 2.643 2.643 2.643 . 0 0 "[ ]" 1
526 1 44 CYS HA 1 65 LEU MD2 3.500 . 5.000 3.209 3.209 3.209 . 0 0 "[ ]" 1
527 1 44 CYS HA 1 64 TRP HB2 4.500 . 5.000 5.156 5.156 5.156 0.156 1 0 "[ ]" 1
528 1 44 CYS HB2 1 77 ALA H 4.500 . 5.000 4.501 4.501 4.501 . 0 0 "[ ]" 1
529 1 44 CYS HB2 1 77 ALA MB 2.500 . 4.000 2.868 2.868 2.868 . 0 0 "[ ]" 1
530 1 44 CYS HB3 1 64 TRP H 4.500 . 5.000 4.982 4.982 4.982 . 0 0 "[ ]" 1
531 1 44 CYS HB3 1 65 LEU MD2 3.500 . 5.000 3.031 3.031 3.031 . 0 0 "[ ]" 1
532 1 44 CYS HB3 1 74 GLN HA 4.500 . 5.000 4.965 4.965 4.965 . 0 0 "[ ]" 1
533 1 44 CYS HB3 1 77 ALA MB 2.500 . 4.000 1.983 1.983 1.983 . 0 0 "[ ]" 1
534 1 44 CYS HA 1 45 TYR H 3.500 . 4.000 2.306 2.306 2.306 . 0 0 "[ ]" 1
535 1 44 CYS HB2 1 45 TYR H 4.500 . 5.000 4.187 4.187 4.187 . 0 0 "[ ]" 1
536 1 44 CYS HB3 1 45 TYR H 3.500 . 4.000 3.017 3.017 3.017 . 0 0 "[ ]" 1
537 1 45 TYR H 1 45 TYR QD 2.500 . 5.400 3.044 3.044 3.044 . 0 0 "[ ]" 1
538 1 45 TYR H 1 45 TYR QE 4.500 . 7.400 5.269 5.269 5.269 . 0 0 "[ ]" 1
539 1 45 TYR H 1 46 VAL MG2 4.500 . 6.000 4.343 4.343 4.343 . 0 0 "[ ]" 1
540 1 45 TYR H 1 64 TRP HB2 4.500 . 5.000 3.390 3.390 3.390 . 0 0 "[ ]" 1
541 1 45 TYR H 1 64 TRP HE3 4.500 . 5.000 2.921 2.921 2.921 . 0 0 "[ ]" 1
542 1 45 TYR H 1 65 LEU HA 4.500 . 5.000 3.999 3.999 3.999 . 0 0 "[ ]" 1
543 1 45 TYR HA 1 46 VAL MG2 3.500 . 5.000 3.894 3.894 3.894 . 0 0 "[ ]" 1
544 1 45 TYR HA 1 64 TRP HE3 4.500 . 5.000 4.328 4.328 4.328 . 0 0 "[ ]" 1
545 1 22 ARG HA 1 45 TYR QD 3.500 . 6.400 2.783 2.783 2.783 . 0 0 "[ ]" 1
546 1 39 PHE QE 1 45 TYR QD 3.500 . 8.800 5.340 5.340 5.340 . 0 0 "[ ]" 1
547 1 45 TYR QD 1 64 TRP HB2 4.500 . 7.400 4.878 4.878 4.878 . 0 0 "[ ]" 1
548 1 45 TYR QD 1 64 TRP HE3 2.500 . 5.400 1.842 1.842 1.842 . 0 0 "[ ]" 1
549 1 45 TYR QD 1 64 TRP HH2 4.500 . 7.400 5.137 5.137 5.137 . 0 0 "[ ]" 1
550 1 45 TYR QD 1 106 PHE QE 3.500 . 8.800 4.653 4.653 4.653 . 0 0 "[ ]" 1
551 1 22 ARG HA 1 45 TYR QE 3.500 . 6.400 2.828 2.828 2.828 . 0 0 "[ ]" 1
552 1 39 PHE QE 1 45 TYR QE 3.500 . 8.800 5.867 5.867 5.867 . 0 0 "[ ]" 1
553 1 45 TYR QE 1 64 TRP HE3 3.500 . 6.400 3.902 3.902 3.902 . 0 0 "[ ]" 1
554 1 45 TYR QE 1 64 TRP HH2 3.500 . 6.400 5.303 5.303 5.303 . 0 0 "[ ]" 1
555 1 21 TRP H 1 46 VAL H 2.500 . 3.000 2.900 2.900 2.900 . 0 0 "[ ]" 1
556 1 22 ARG HA 1 46 VAL H 4.500 . 5.000 4.541 4.541 4.541 . 0 0 "[ ]" 1
557 1 28 MET ME 1 46 VAL H 4.500 . 6.000 3.290 3.290 3.290 . 0 0 "[ ]" 1
558 1 45 TYR HA 1 46 VAL H 2.500 . 3.000 2.212 2.212 2.212 . 0 0 "[ ]" 1
559 1 45 TYR HB2 1 46 VAL H 3.500 . 5.800 4.511 4.511 4.511 . 0 0 "[ ]" 1
560 1 45 TYR HB3 1 46 VAL H 3.500 . 4.000 3.740 3.740 3.740 . 0 0 "[ ]" 1
561 1 46 VAL H 1 46 VAL HB 2.500 . 3.000 2.454 2.454 2.454 . 0 0 "[ ]" 1
562 1 46 VAL HA 1 63 TYR HA 2.500 . 3.000 2.300 2.300 2.300 . 0 0 "[ ]" 1
563 1 46 VAL HA 1 63 TYR HB2 4.500 . 5.000 4.424 4.424 4.424 . 0 0 "[ ]" 1
564 1 46 VAL HA 1 63 TYR HB3 4.500 . 5.000 4.306 4.306 4.306 . 0 0 "[ ]" 1
565 1 46 VAL HA 1 63 TYR QD 4.500 . 7.400 5.549 5.549 5.549 . 0 0 "[ ]" 1
566 1 28 MET ME 1 46 VAL HB 3.500 . 5.000 2.040 2.040 2.040 . 0 0 "[ ]" 1
567 1 46 VAL MG1 1 63 TYR HA 3.500 . 5.000 3.331 3.331 3.331 . 0 0 "[ ]" 1
568 1 46 VAL MG1 1 63 TYR QD 3.500 . 7.400 5.104 5.104 5.104 . 0 0 "[ ]" 1
569 1 46 VAL MG2 1 63 TYR HB3 3.500 . 5.000 3.270 3.270 3.270 . 0 0 "[ ]" 1
570 1 46 VAL MG2 1 77 ALA H 4.500 . 6.000 4.710 4.710 4.710 . 0 0 "[ ]" 1
571 1 46 VAL MG2 1 77 ALA MB 2.500 . 5.000 2.344 2.344 2.344 . 0 0 "[ ]" 1
572 1 46 VAL MG2 1 80 TYR H 4.500 . 6.000 4.140 4.140 4.140 . 0 0 "[ ]" 1
573 1 21 TRP HE3 1 47 LEU H 4.500 . 5.000 4.575 4.575 4.575 . 0 0 "[ ]" 1
574 1 46 VAL HA 1 47 LEU H 2.500 . 3.000 2.213 2.213 2.213 . 0 0 "[ ]" 1
575 1 46 VAL MG1 1 47 LEU H 2.500 . 4.000 2.811 2.811 2.811 . 0 0 "[ ]" 1
576 1 47 LEU H 1 48 LEU H 4.500 . 5.000 4.357 4.357 4.357 . 0 0 "[ ]" 1
577 1 47 LEU H 1 61 ILE MG 3.500 . 5.000 4.048 4.048 4.048 . 0 0 "[ ]" 1
578 1 47 LEU H 1 62 HIS H 3.500 . 4.000 2.822 2.822 2.822 . 0 0 "[ ]" 1
579 1 47 LEU H 1 62 HIS HD2 4.500 . 5.000 4.375 4.375 4.375 . 0 0 "[ ]" 1
580 1 47 LEU H 1 63 TYR HA 4.500 . 5.000 3.586 3.586 3.586 . 0 0 "[ ]" 1
581 1 47 LEU HA 1 48 LEU HA 4.500 . 5.000 4.463 4.463 4.463 . 0 0 "[ ]" 1
582 1 47 LEU HA 1 62 HIS H 4.500 . 5.000 4.564 4.564 4.564 . 0 0 "[ ]" 1
583 1 47 LEU HB2 1 106 PHE HZ 4.500 . 5.000 2.728 2.728 2.728 . 0 0 "[ ]" 1
584 1 47 LEU HB3 1 62 HIS H 4.500 . 5.000 3.766 3.766 3.766 . 0 0 "[ ]" 1
585 1 18 ILE HB 1 47 LEU MD1 3.500 . 5.000 2.949 2.949 2.949 . 0 0 "[ ]" 1
586 1 20 ILE MG 1 47 LEU MD1 3.500 . 6.000 3.126 3.126 3.126 . 0 0 "[ ]" 1
587 1 20 ILE MD 1 47 LEU MD1 2.500 . 5.000 2.468 2.468 2.468 . 0 0 "[ ]" 1
588 1 47 LEU MD1 1 62 HIS HD2 4.500 . 6.000 4.708 4.708 4.708 . 0 0 "[ ]" 1
589 1 47 LEU MD1 1 106 PHE HZ 2.500 . 4.000 3.192 3.192 3.192 . 0 0 "[ ]" 1
590 1 47 LEU MD1 1 109 TYR QD 3.500 . 7.400 2.502 2.502 2.502 . 0 0 "[ ]" 1
591 1 47 LEU MD1 1 109 TYR QE 3.500 . 7.400 3.953 3.953 3.953 . 0 0 "[ ]" 1
592 1 47 LEU MD1 1 110 PHE QD 4.500 . 8.400 3.501 3.501 3.501 . 0 0 "[ ]" 1
593 1 47 LEU MD1 1 110 PHE QE 2.500 . 6.400 1.812 1.812 1.812 . 0 0 "[ ]" 1
594 1 47 LEU MD1 1 110 PHE HZ 2.500 . 4.000 2.651 2.651 2.651 . 0 0 "[ ]" 1
595 1 18 ILE HA 1 47 LEU MD2 4.500 . 6.800 4.226 4.226 4.226 . 0 0 "[ ]" 1
596 1 47 LEU MD2 1 49 SER HB2 2.500 . 4.000 2.241 2.241 2.241 . 0 0 "[ ]" 1
597 1 47 LEU MD2 1 49 SER HB3 3.500 . 5.000 3.613 3.613 3.613 . 0 0 "[ ]" 1
598 1 47 LEU MD2 1 61 ILE HA 4.500 . 6.000 4.244 4.244 4.244 . 0 0 "[ ]" 1
599 1 47 LEU MD2 1 62 HIS HB3 3.500 . 5.000 3.891 3.891 3.891 . 0 0 "[ ]" 1
600 1 47 LEU MD2 1 62 HIS HD2 2.500 . 4.000 2.237 2.237 2.237 . 0 0 "[ ]" 1
601 1 47 LEU MD2 1 109 TYR QD 2.500 . 6.400 2.650 2.650 2.650 . 0 0 "[ ]" 1
602 1 47 LEU MD2 1 109 TYR QE 2.500 . 6.400 2.885 2.885 2.885 . 0 0 "[ ]" 1
603 1 20 ILE HA 1 48 LEU H 4.500 . 5.000 2.897 2.897 2.897 . 0 0 "[ ]" 1
604 1 21 TRP HH2 1 48 LEU H 3.500 . 6.500 4.491 4.491 4.491 . 0 0 "[ ]" 1
605 1 21 TRP HZ3 1 48 LEU H 3.500 . 6.500 2.391 2.391 2.391 . 0 0 "[ ]" 1
606 1 47 LEU HA 1 48 LEU H 2.500 . 3.000 2.193 2.193 2.193 . 0 0 "[ ]" 1
607 1 47 LEU MD1 1 48 LEU H 4.500 . 6.000 4.414 4.414 4.414 . 0 0 "[ ]" 1
608 1 47 LEU MD2 1 48 LEU H 3.500 . 5.000 3.364 3.364 3.364 . 0 0 "[ ]" 1
609 1 48 LEU HA 1 59 TYR QD 4.500 . 7.400 5.867 5.867 5.867 . 0 0 "[ ]" 1
610 1 48 LEU HA 1 61 ILE MG 4.500 . 6.000 3.455 3.455 3.455 . 0 0 "[ ]" 1
611 1 48 LEU HA 1 62 HIS HD2 4.500 . 5.000 3.248 3.248 3.248 . 0 0 "[ ]" 1
612 1 48 LEU MD1 1 59 TYR HA 2.500 . 4.000 3.179 3.179 3.179 . 0 0 "[ ]" 1
613 1 48 LEU MD1 1 59 TYR HB2 2.500 . 4.000 3.287 3.287 3.287 . 0 0 "[ ]" 1
614 1 48 LEU MD1 1 59 TYR HB3 2.500 . 5.800 1.887 1.887 1.887 . 0 0 "[ ]" 1
615 1 48 LEU MD1 1 61 ILE HA 3.500 . 5.000 2.688 2.688 2.688 . 0 0 "[ ]" 1
616 1 48 LEU MD1 1 88 LEU MD1 2.500 . 5.000 2.039 2.039 2.039 . 0 0 "[ ]" 1
617 1 48 LEU MD1 1 88 LEU MD2 2.500 . 6.800 3.294 3.294 3.294 . 0 0 "[ ]" 1
618 1 48 LEU MD2 1 59 TYR HB3 2.500 . 5.800 3.468 3.468 3.468 . 0 0 "[ ]" 1
619 1 48 LEU MD2 1 88 LEU MD1 2.500 . 5.000 2.396 2.396 2.396 . 0 0 "[ ]" 1
620 1 48 LEU MD2 1 88 LEU MD2 2.500 . 6.800 2.594 2.594 2.594 . 0 0 "[ ]" 1
621 1 47 LEU MD2 1 49 SER H 4.500 . 6.000 2.593 2.593 2.593 . 0 0 "[ ]" 1
622 1 48 LEU HA 1 49 SER H 2.500 . 3.000 2.212 2.212 2.212 . 0 0 "[ ]" 1
623 1 48 LEU MD1 1 49 SER H 3.500 . 6.800 2.741 2.741 2.741 . 0 0 "[ ]" 1
624 1 48 LEU MD2 1 49 SER H 3.500 . 6.800 4.880 4.880 4.880 . 0 0 "[ ]" 1
625 1 48 LEU HG 1 49 SER H 3.500 . 4.000 3.594 3.594 3.594 . 0 0 "[ ]" 1
626 1 49 SER H 1 59 TYR HA 4.500 . 5.000 4.814 4.814 4.814 . 0 0 "[ ]" 1
627 1 49 SER H 1 59 TYR QD 4.500 . 7.400 5.855 5.855 5.855 . 0 0 "[ ]" 1
628 1 49 SER H 1 60 ASN H 4.500 . 5.000 2.939 2.939 2.939 . 0 0 "[ ]" 1
629 1 49 SER H 1 60 ASN HB3 4.500 . 5.000 3.572 3.572 3.572 . 0 0 "[ ]" 1
630 1 49 SER H 1 60 ASN HB2 3.500 . 4.000 3.338 3.338 3.338 . 0 0 "[ ]" 1
631 1 49 SER H 1 62 HIS HD2 3.500 . 4.000 2.872 2.872 2.872 . 0 0 "[ ]" 1
632 1 49 SER H 1 109 TYR QE 4.500 . 7.400 5.515 5.515 5.515 . 0 0 "[ ]" 1
633 1 18 ILE MG 1 49 SER HA 3.500 . 5.000 1.995 1.995 1.995 . 0 0 "[ ]" 1
634 1 18 ILE MD 1 49 SER HA 5.500 . 7.000 4.428 4.428 4.428 . 0 0 "[ ]" 1
635 1 49 SER HA 1 50 THR HA 4.500 . 5.000 4.443 4.443 4.443 . 0 0 "[ ]" 1
636 1 49 SER HA 1 50 THR HB 3.500 . 4.000 4.168 4.168 4.168 0.168 1 0 "[ ]" 1
637 1 49 SER HA 1 109 TYR QE 4.500 . 7.400 5.731 5.731 5.731 . 0 0 "[ ]" 1
638 1 49 SER HB2 1 60 ASN HA 5.500 . 6.000 6.019 6.019 6.019 0.019 1 0 "[ ]" 1
639 1 49 SER HB2 1 109 TYR QE 3.500 . 6.400 3.815 3.815 3.815 . 0 0 "[ ]" 1
640 1 49 SER HB2 1 109 TYR QD 4.500 . 7.400 4.115 4.115 4.115 . 0 0 "[ ]" 1
641 1 49 SER HB3 1 60 ASN HA 4.500 . 5.000 5.030 5.030 5.030 0.030 1 0 "[ ]" 1
642 1 49 SER HB3 1 60 ASN HB3 3.500 . 4.000 3.174 3.174 3.174 . 0 0 "[ ]" 1
643 1 49 SER HB3 1 60 ASN HB2 3.500 . 4.000 2.234 2.234 2.234 . 0 0 "[ ]" 1
644 1 49 SER HB3 1 109 TYR QE 3.500 . 6.400 4.029 4.029 4.029 . 0 0 "[ ]" 1
645 1 18 ILE HA 1 50 THR H 3.500 . 4.000 3.236 3.236 3.236 . 0 0 "[ ]" 1
646 1 18 ILE MG 1 50 THR H 4.500 . 6.000 3.001 3.001 3.001 . 0 0 "[ ]" 1
647 1 49 SER HA 1 50 THR H 2.500 . 3.000 2.187 2.187 2.187 . 0 0 "[ ]" 1
648 1 50 THR H 1 50 THR HB 2.500 . 3.000 2.500 2.500 2.500 . 0 0 "[ ]" 1
649 1 50 THR HA 1 59 TYR HA 3.500 . 4.000 2.364 2.364 2.364 . 0 0 "[ ]" 1
650 1 50 THR HB 1 57 PHE QD 3.500 . 6.400 4.758 4.758 4.758 . 0 0 "[ ]" 1
651 1 50 THR HB 1 59 TYR QE 3.500 . 6.400 4.728 4.728 4.728 . 0 0 "[ ]" 1
652 1 50 THR MG 1 57 PHE HA 3.500 . 5.000 4.050 4.050 4.050 . 0 0 "[ ]" 1
653 1 50 THR MG 1 57 PHE HB3 3.500 . 5.000 2.308 2.308 2.308 . 0 0 "[ ]" 1
654 1 50 THR MG 1 57 PHE HB2 3.500 . 5.000 3.696 3.696 3.696 . 0 0 "[ ]" 1
655 1 50 THR MG 1 57 PHE QD 2.500 . 6.400 2.051 2.051 2.051 . 0 0 "[ ]" 1
656 1 50 THR MG 1 59 TYR HA 3.500 . 5.000 3.952 3.952 3.952 . 0 0 "[ ]" 1
657 1 50 THR MG 1 59 TYR QD 2.500 . 6.400 3.705 3.705 3.705 . 0 0 "[ ]" 1
658 1 50 THR MG 1 59 TYR QE 2.500 . 6.400 3.290 3.290 3.290 . 0 0 "[ ]" 1
659 1 50 THR HA 1 51 ARG H 2.500 . 3.000 2.213 2.213 2.213 . 0 0 "[ ]" 1
660 1 50 THR MG 1 51 ARG H 3.500 . 5.000 2.735 2.735 2.735 . 0 0 "[ ]" 1
661 1 51 ARG H 1 52 LYS HA 4.500 . 5.000 4.950 4.950 4.950 . 0 0 "[ ]" 1
662 1 51 ARG H 1 57 PHE HA 4.500 . 5.000 4.378 4.378 4.378 . 0 0 "[ ]" 1
663 1 51 ARG H 1 57 PHE QD 3.500 . 6.400 3.455 3.455 3.455 . 0 0 "[ ]" 1
664 1 51 ARG H 1 58 SER H 2.500 . 3.000 2.550 2.550 2.550 . 0 0 "[ ]" 1
665 1 51 ARG QB 1 53 THR MG 3.500 . 6.800 3.576 3.576 3.576 . 0 0 "[ ]" 1
666 1 51 ARG QD 1 53 THR MG 3.500 . 6.800 3.401 3.401 3.401 . 0 0 "[ ]" 1
667 1 16 PRO QB 1 52 LYS H 3.500 . 5.800 3.193 3.193 3.193 . 0 0 "[ ]" 1
668 1 51 ARG HA 1 52 LYS H 3.500 . 4.000 2.401 2.401 2.401 . 0 0 "[ ]" 1
669 1 52 LYS HA 1 57 PHE HA 2.500 . 3.000 2.828 2.828 2.828 . 0 0 "[ ]" 1
670 1 52 LYS HA 1 57 PHE HZ 4.500 . 5.000 4.219 4.219 4.219 . 0 0 "[ ]" 1
671 1 52 LYS HB2 1 57 PHE QD 3.500 . 6.400 4.920 4.920 4.920 . 0 0 "[ ]" 1
672 1 52 LYS HB3 1 57 PHE QD 3.500 . 6.400 4.237 4.237 4.237 . 0 0 "[ ]" 1
673 1 16 PRO QB 1 52 LYS QG 3.500 . 7.600 3.415 3.415 3.415 . 0 0 "[ ]" 1
674 1 52 LYS H 1 53 THR H 4.500 . 5.000 4.641 4.641 4.641 . 0 0 "[ ]" 1
675 1 52 LYS HA 1 53 THR H 2.500 . 3.000 2.341 2.341 2.341 . 0 0 "[ ]" 1
676 1 52 LYS HB3 1 53 THR H 3.500 . 4.000 3.975 3.975 3.975 . 0 0 "[ ]" 1
677 1 52 LYS QG 1 53 THR H 3.500 . 5.800 3.752 3.752 3.752 . 0 0 "[ ]" 1
678 1 53 THR H 1 53 THR HA 2.500 . 3.000 2.960 2.960 2.960 . 0 0 "[ ]" 1
679 1 53 THR H 1 56 GLY H 4.500 . 5.000 3.623 3.623 3.623 . 0 0 "[ ]" 1
680 1 53 THR H 1 57 PHE HA 3.500 . 4.000 3.290 3.290 3.290 . 0 0 "[ ]" 1
681 1 53 THR HB 1 58 SER QB 4.500 . 6.800 5.308 5.308 5.308 . 0 0 "[ ]" 1
682 1 52 LYS HA 1 53 THR MG 4.500 . 6.000 3.910 3.910 3.910 . 0 0 "[ ]" 1
683 1 53 THR MG 1 57 PHE HA 3.500 . 5.000 3.386 3.386 3.386 . 0 0 "[ ]" 1
684 1 53 THR H 1 54 GLY H 4.500 . 5.000 4.418 4.418 4.418 . 0 0 "[ ]" 1
685 1 53 THR HA 1 54 GLY H 2.500 . 3.000 2.591 2.591 2.591 . 0 0 "[ ]" 1
686 1 53 THR HB 1 54 GLY H 2.500 . 3.000 2.161 2.161 2.161 . 0 0 "[ ]" 1
687 1 53 THR MG 1 54 GLY H 3.500 . 5.000 3.375 3.375 3.375 . 0 0 "[ ]" 1
688 1 53 THR HB 1 55 SER H 2.500 . 3.000 2.372 2.372 2.372 . 0 0 "[ ]" 1
689 1 54 GLY H 1 55 SER H 4.500 . 5.000 2.420 2.420 2.420 . 0 0 "[ ]" 1
690 1 54 GLY QA 1 55 SER H 2.500 . 4.800 2.894 2.894 2.894 . 0 0 "[ ]" 1
691 1 55 SER H 1 56 GLY H 2.500 . 3.000 2.167 2.167 2.167 . 0 0 "[ ]" 1
692 1 55 SER HA 1 56 GLY H 3.500 . 4.000 3.521 3.521 3.521 . 0 0 "[ ]" 1
693 1 56 GLY H 1 57 PHE H 3.500 . 4.000 3.644 3.644 3.644 . 0 0 "[ ]" 1
694 1 56 GLY QA 1 57 PHE H 3.500 . 5.800 2.196 2.196 2.196 . 0 0 "[ ]" 1
695 1 57 PHE H 1 57 PHE HB2 2.500 . 3.000 2.676 2.676 2.676 . 0 0 "[ ]" 1
696 1 57 PHE HA 1 57 PHE QD 2.500 . 5.400 2.901 2.901 2.901 . 0 0 "[ ]" 1
697 1 57 PHE HA 1 57 PHE QE 3.500 . 6.400 4.448 4.448 4.448 . 0 0 "[ ]" 1
698 1 57 PHE HA 1 58 SER HA 4.500 . 5.000 4.461 4.461 4.461 . 0 0 "[ ]" 1
699 1 57 PHE HA 1 58 SER QB 4.500 . 6.800 4.140 4.140 4.140 . 0 0 "[ ]" 1
700 1 57 PHE HA 1 59 TYR QE 4.500 . 7.400 5.305 5.305 5.305 . 0 0 "[ ]" 1
701 1 57 PHE HB3 1 58 SER HA 4.500 . 5.000 4.420 4.420 4.420 . 0 0 "[ ]" 1
702 1 57 PHE HB3 1 59 TYR QE 2.500 . 5.400 3.650 3.650 3.650 . 0 0 "[ ]" 1
703 1 57 PHE HB2 1 59 TYR QE 3.500 . 6.400 3.207 3.207 3.207 . 0 0 "[ ]" 1
704 1 52 LYS HA 1 57 PHE QD 2.500 . 5.400 2.914 2.914 2.914 . 0 0 "[ ]" 1
705 1 56 GLY QA 1 57 PHE QD 3.500 . 8.200 3.149 3.149 3.149 . 0 0 "[ ]" 1
706 1 52 LYS HA 1 57 PHE QE 3.500 . 6.400 3.121 3.121 3.121 . 0 0 "[ ]" 1
707 1 52 LYS QG 1 57 PHE QE 3.500 . 8.200 4.540 4.540 4.540 . 0 0 "[ ]" 1
708 1 51 ARG QB 1 58 SER H 4.500 . 6.800 3.465 3.465 3.465 . 0 0 "[ ]" 1
709 1 52 LYS HA 1 58 SER H 4.500 . 5.000 4.136 4.136 4.136 . 0 0 "[ ]" 1
710 1 53 THR MG 1 58 SER H 4.500 . 6.000 3.296 3.296 3.296 . 0 0 "[ ]" 1
711 1 57 PHE HA 1 58 SER H 2.500 . 3.000 2.325 2.325 2.325 . 0 0 "[ ]" 1
712 1 57 PHE HB3 1 58 SER H 3.500 . 4.000 2.772 2.772 2.772 . 0 0 "[ ]" 1
713 1 57 PHE HB2 1 58 SER H 3.500 . 4.000 4.024 4.024 4.024 0.024 1 0 "[ ]" 1
714 1 57 PHE QD 1 58 SER H 3.500 . 6.400 3.374 3.374 3.374 . 0 0 "[ ]" 1
715 1 58 SER HA 1 59 TYR HA 4.500 . 5.000 4.474 4.474 4.474 . 0 0 "[ ]" 1
716 1 58 SER HA 1 59 TYR QD 2.500 . 5.400 3.408 3.408 3.408 . 0 0 "[ ]" 1
717 1 58 SER HA 1 59 TYR QE 3.500 . 6.400 4.481 4.481 4.481 . 0 0 "[ ]" 1
718 1 58 SER HA 1 91 VAL MG2 3.500 . 5.000 3.868 3.868 3.868 . 0 0 "[ ]" 1
719 1 51 ARG QG 1 58 SER QB 3.500 . 7.600 4.242 4.242 4.242 . 0 0 "[ ]" 1
720 1 53 THR MG 1 58 SER QB 2.500 . 5.800 2.712 2.712 2.712 . 0 0 "[ ]" 1
721 1 51 ARG QB 1 58 SER QB 3.500 . 7.600 2.783 2.783 2.783 . 0 0 "[ ]" 1
722 1 58 SER HA 1 59 TYR H 2.500 . 3.000 2.209 2.209 2.209 . 0 0 "[ ]" 1
723 1 58 SER QB 1 59 TYR H 3.500 . 5.800 3.612 3.612 3.612 . 0 0 "[ ]" 1
724 1 59 TYR H 1 59 TYR HB2 2.500 . 3.000 2.609 2.609 2.609 . 0 0 "[ ]" 1
725 1 59 TYR H 1 91 VAL MG1 4.500 . 6.000 5.040 5.040 5.040 . 0 0 "[ ]" 1
726 1 59 TYR H 1 91 VAL MG2 4.500 . 6.000 3.082 3.082 3.082 . 0 0 "[ ]" 1
727 1 59 TYR H 1 92 ALA HA 4.500 . 5.000 2.863 2.863 2.863 . 0 0 "[ ]" 1
728 1 59 TYR HA 1 59 TYR QD 2.500 . 5.400 3.047 3.047 3.047 . 0 0 "[ ]" 1
729 1 59 TYR HA 1 60 ASN HA 4.500 . 5.000 4.541 4.541 4.541 . 0 0 "[ ]" 1
730 1 59 TYR HA 1 60 ASN HB3 5.500 . 6.000 5.481 5.481 5.481 . 0 0 "[ ]" 1
731 1 59 TYR HA 1 60 ASN HB2 3.500 . 4.000 4.020 4.020 4.020 0.020 1 0 "[ ]" 1
732 1 59 TYR HA 1 88 LEU MD1 4.500 . 6.000 4.439 4.439 4.439 . 0 0 "[ ]" 1
733 1 59 TYR HA 1 92 ALA HA 3.500 . 4.000 4.028 4.028 4.028 0.028 1 0 "[ ]" 1
734 1 59 TYR HA 1 92 ALA MB 4.500 . 6.000 4.155 4.155 4.155 . 0 0 "[ ]" 1
735 1 59 TYR HB2 1 92 ALA HA 3.500 . 4.000 1.871 1.871 1.871 . 0 0 "[ ]" 1
736 1 59 TYR HB2 1 92 ALA MB 2.500 . 4.000 1.903 1.903 1.903 . 0 0 "[ ]" 1
737 1 59 TYR HB3 1 88 LEU MD1 3.500 . 5.000 2.324 2.324 2.324 . 0 0 "[ ]" 1
738 1 59 TYR HB3 1 92 ALA HA 3.500 . 4.000 3.372 3.372 3.372 . 0 0 "[ ]" 1
739 1 59 TYR HB3 1 92 ALA MB 2.500 . 4.000 2.571 2.571 2.571 . 0 0 "[ ]" 1
740 1 50 THR HA 1 59 TYR QD 2.500 . 5.400 3.992 3.992 3.992 . 0 0 "[ ]" 1
741 1 59 TYR QD 1 88 LEU MD1 4.500 . 8.400 2.878 2.878 2.878 . 0 0 "[ ]" 1
742 1 59 TYR QD 1 88 LEU MD2 3.500 . 7.400 2.673 2.673 2.673 . 0 0 "[ ]" 1
743 1 59 TYR QD 1 92 ALA HA 2.500 . 5.400 3.291 3.291 3.291 . 0 0 "[ ]" 1
744 1 50 THR HA 1 59 TYR QE 3.500 . 6.400 5.122 5.122 5.122 . 0 0 "[ ]" 1
745 1 59 TYR QE 1 88 LEU MD2 3.500 . 7.400 2.792 2.792 2.792 . 0 0 "[ ]" 1
746 1 59 TYR QE 1 92 ALA HA 3.500 . 6.400 5.563 5.563 5.563 . 0 0 "[ ]" 1
747 1 48 LEU MD1 1 60 ASN H 4.500 . 7.800 1.983 1.983 1.983 . 0 0 "[ ]" 1
748 1 48 LEU MD2 1 60 ASN H 4.500 . 7.800 4.609 4.609 4.609 . 0 0 "[ ]" 1
749 1 49 SER HB3 1 60 ASN H 4.500 . 5.000 3.755 3.755 3.755 . 0 0 "[ ]" 1
750 1 50 THR HA 1 60 ASN H 3.500 . 4.000 3.894 3.894 3.894 . 0 0 "[ ]" 1
751 1 59 TYR HA 1 60 ASN H 2.500 . 3.000 2.340 2.340 2.340 . 0 0 "[ ]" 1
752 1 59 TYR HB2 1 60 ASN H 4.500 . 6.800 3.614 3.614 3.614 . 0 0 "[ ]" 1
753 1 59 TYR QD 1 60 ASN H 4.500 . 7.400 4.121 4.121 4.121 . 0 0 "[ ]" 1
754 1 60 ASN H 1 60 ASN HB2 2.500 . 3.000 2.717 2.717 2.717 . 0 0 "[ ]" 1
755 1 60 ASN H 1 62 HIS HD2 5.500 . 6.000 4.914 4.914 4.914 . 0 0 "[ ]" 1
756 1 60 ASN H 1 92 ALA HA 4.500 . 5.000 4.196 4.196 4.196 . 0 0 "[ ]" 1
757 1 60 ASN H 1 92 ALA MB 3.500 . 5.000 3.651 3.651 3.651 . 0 0 "[ ]" 1
758 1 60 ASN HA 1 61 ILE HB 4.500 . 5.000 4.880 4.880 4.880 . 0 0 "[ ]" 1
759 1 60 ASN HA 1 93 VAL HB 2.500 . 3.000 2.515 2.515 2.515 . 0 0 "[ ]" 1
760 1 60 ASN HA 1 93 VAL MG1 3.500 . 5.000 4.167 4.167 4.167 . 0 0 "[ ]" 1
761 1 60 ASN HA 1 93 VAL MG2 2.500 . 4.000 2.789 2.789 2.789 . 0 0 "[ ]" 1
762 1 60 ASN HA 1 94 GLN HA 4.500 . 5.000 5.052 5.052 5.052 0.052 1 0 "[ ]" 1
763 1 60 ASN HA 1 95 HIS HE1 3.500 . 4.000 3.942 3.942 3.942 . 0 0 "[ ]" 1
764 1 60 ASN HB3 1 95 HIS HE1 2.500 . 5.000 3.725 3.725 3.725 . 0 0 "[ ]" 1
765 1 60 ASN HB3 1 109 TYR QE 4.500 . 7.400 4.733 4.733 4.733 . 0 0 "[ ]" 1
766 1 60 ASN HA 1 61 ILE H 2.500 . 3.000 2.307 2.307 2.307 . 0 0 "[ ]" 1
767 1 60 ASN HB3 1 61 ILE H 4.500 . 6.800 4.090 4.090 4.090 . 0 0 "[ ]" 1
768 1 61 ILE H 1 92 ALA MB 4.500 . 6.000 2.750 2.750 2.750 . 0 0 "[ ]" 1
769 1 61 ILE H 1 94 GLN HA 3.500 . 4.000 3.793 3.793 3.793 . 0 0 "[ ]" 1
770 1 61 ILE H 1 95 HIS H 4.500 . 5.000 5.006 5.006 5.006 0.006 1 0 "[ ]" 1
771 1 47 LEU H 1 61 ILE HA 4.500 . 5.000 4.727 4.727 4.727 . 0 0 "[ ]" 1
772 1 48 LEU HA 1 61 ILE HA 3.500 . 4.000 2.186 2.186 2.186 . 0 0 "[ ]" 1
773 1 49 SER H 1 61 ILE HA 3.500 . 4.000 3.556 3.556 3.556 . 0 0 "[ ]" 1
774 1 61 ILE HA 1 62 HIS HD2 2.500 . 3.000 3.115 3.115 3.115 0.115 1 0 "[ ]" 1
775 1 61 ILE HA 1 81 THR MG 3.500 . 5.000 4.035 4.035 4.035 . 0 0 "[ ]" 1
776 1 61 ILE MG 1 62 HIS HA 3.500 . 5.000 3.872 3.872 3.872 . 0 0 "[ ]" 1
777 1 61 ILE MG 1 63 TYR HB3 4.500 . 6.000 4.118 4.118 4.118 . 0 0 "[ ]" 1
778 1 61 ILE MG 1 63 TYR QD 3.500 . 7.400 4.620 4.620 4.620 . 0 0 "[ ]" 1
779 1 61 ILE MG 1 88 LEU MD1 3.500 . 6.000 4.082 4.082 4.082 . 0 0 "[ ]" 1
780 1 61 ILE MG 1 94 GLN HA 3.500 . 5.000 4.103 4.103 4.103 . 0 0 "[ ]" 1
781 1 61 ILE MD 1 81 THR HA 3.500 . 5.000 3.220 3.220 3.220 . 0 0 "[ ]" 1
782 1 61 ILE MD 1 84 MET QB 2.500 . 5.800 2.983 2.983 2.983 . 0 0 "[ ]" 1
783 1 61 ILE MD 1 85 ASP HA 2.500 . 4.000 1.779 1.779 1.779 0.021 1 0 "[ ]" 1
784 1 61 ILE MD 1 85 ASP QB 3.500 . 6.800 2.124 2.124 2.124 . 0 0 "[ ]" 1
785 1 61 ILE MD 1 88 LEU MD1 2.500 . 5.000 2.122 2.122 2.122 . 0 0 "[ ]" 1
786 1 61 ILE MD 1 92 ALA MB 2.500 . 5.000 2.090 2.090 2.090 . 0 0 "[ ]" 1
787 1 61 ILE MD 1 94 GLN HA 4.500 . 6.000 4.281 4.281 4.281 . 0 0 "[ ]" 1
788 1 47 LEU MD2 1 62 HIS H 4.500 . 6.000 3.774 3.774 3.774 . 0 0 "[ ]" 1
789 1 48 LEU HA 1 62 HIS H 3.500 . 4.000 3.341 3.341 3.341 . 0 0 "[ ]" 1
790 1 61 ILE HA 1 62 HIS H 2.500 . 3.000 2.165 2.165 2.165 . 0 0 "[ ]" 1
791 1 61 ILE HB 1 62 HIS H 4.500 . 5.000 3.984 3.984 3.984 . 0 0 "[ ]" 1
792 1 61 ILE MD 1 62 HIS H 5.500 . 7.000 5.121 5.121 5.121 . 0 0 "[ ]" 1
793 1 61 ILE QG 1 62 HIS H 3.500 . 5.800 4.221 4.221 4.221 . 0 0 "[ ]" 1
794 1 61 ILE MG 1 62 HIS H 3.500 . 5.000 2.498 2.498 2.498 . 0 0 "[ ]" 1
795 1 62 HIS H 1 62 HIS HD2 3.500 . 4.000 2.743 2.743 2.743 . 0 0 "[ ]" 1
796 1 62 HIS H 1 81 THR MG 4.500 . 6.000 3.837 3.837 3.837 . 0 0 "[ ]" 1
797 1 61 ILE HA 1 62 HIS HA 4.500 . 5.000 4.453 4.453 4.453 . 0 0 "[ ]" 1
798 1 62 HIS HA 1 62 HIS HD2 4.500 . 5.000 3.926 3.926 3.926 . 0 0 "[ ]" 1
799 1 62 HIS HA 1 81 THR MG 3.500 . 5.000 3.826 3.826 3.826 . 0 0 "[ ]" 1
800 1 62 HIS HA 1 95 HIS HB2 3.500 . 4.000 2.337 2.337 2.337 . 0 0 "[ ]" 1
801 1 62 HIS HB3 1 106 PHE QD 3.500 . 6.400 4.616 4.616 4.616 . 0 0 "[ ]" 1
802 1 62 HIS HB3 1 106 PHE QE 3.500 . 6.400 3.906 3.906 3.906 . 0 0 "[ ]" 1
803 1 62 HIS HB3 1 106 PHE HZ 5.500 . 6.000 5.922 5.922 5.922 . 0 0 "[ ]" 1
804 1 62 HIS HB2 1 106 PHE QD 3.500 . 6.400 4.806 4.806 4.806 . 0 0 "[ ]" 1
805 1 62 HIS HD2 1 63 TYR H 5.500 . 6.000 5.828 5.828 5.828 . 0 0 "[ ]" 1
806 1 62 HIS HD2 1 95 HIS HD2 2.500 . 3.000 2.695 2.695 2.695 . 0 0 "[ ]" 1
807 1 62 HIS HD2 1 109 TYR QD 4.500 . 7.400 5.396 5.396 5.396 . 0 0 "[ ]" 1
808 1 62 HIS HD2 1 109 TYR QE 2.500 . 5.400 4.270 4.270 4.270 . 0 0 "[ ]" 1
809 1 62 HIS HB3 1 63 TYR H 3.500 . 4.000 2.582 2.582 2.582 . 0 0 "[ ]" 1
810 1 63 TYR H 1 65 LEU MD2 4.500 . 6.000 4.735 4.735 4.735 . 0 0 "[ ]" 1
811 1 63 TYR H 1 95 HIS HB3 4.500 . 5.000 4.995 4.995 4.995 . 0 0 "[ ]" 1
812 1 63 TYR H 1 95 HIS HB2 3.500 . 4.000 3.555 3.555 3.555 . 0 0 "[ ]" 1
813 1 63 TYR H 1 95 HIS HD2 4.500 . 5.000 5.069 5.069 5.069 0.069 1 0 "[ ]" 1
814 1 63 TYR H 1 96 ARG HA 3.500 . 4.000 3.317 3.317 3.317 . 0 0 "[ ]" 1
815 1 62 HIS HB3 1 63 TYR HA 3.500 . 4.000 4.269 4.269 4.269 0.269 1 0 "[ ]" 1
816 1 62 HIS HB2 1 63 TYR HA 4.500 . 5.000 4.348 4.348 4.348 . 0 0 "[ ]" 1
817 1 63 TYR HA 1 63 TYR QD 3.500 . 6.400 3.728 3.728 3.728 . 0 0 "[ ]" 1
818 1 63 TYR HA 1 64 TRP HA 4.500 . 5.000 4.466 4.466 4.466 . 0 0 "[ ]" 1
819 1 63 TYR QD 1 65 LEU MD1 2.500 . 6.400 3.486 3.486 3.486 . 0 0 "[ ]" 1
820 1 63 TYR QD 1 65 LEU MD2 2.500 . 6.400 1.764 1.764 1.764 0.036 1 0 "[ ]" 1
821 1 63 TYR QD 1 65 LEU H 4.500 . 7.400 4.619 4.619 4.619 . 0 0 "[ ]" 1
822 1 63 TYR QD 1 74 GLN QB 3.500 . 8.200 5.593 5.593 5.593 . 0 0 "[ ]" 1
823 1 63 TYR QD 1 81 THR MG 2.500 . 6.400 3.265 3.265 3.265 . 0 0 "[ ]" 1
824 1 63 TYR QD 1 94 GLN QB 4.500 . 9.200 4.744 4.744 4.744 . 0 0 "[ ]" 1
825 1 63 TYR QD 1 97 GLU H 4.500 . 7.400 3.677 3.677 3.677 . 0 0 "[ ]" 1
826 1 63 TYR QE 1 65 LEU H 4.500 . 7.400 5.446 5.446 5.446 . 0 0 "[ ]" 1
827 1 63 TYR QE 1 78 ALA MB 2.500 . 6.400 4.513 4.513 4.513 . 0 0 "[ ]" 1
828 1 63 TYR QE 1 94 GLN HA 4.500 . 7.400 5.388 5.388 5.388 . 0 0 "[ ]" 1
829 1 63 TYR QE 1 94 GLN QG 3.500 . 8.200 3.209 3.209 3.209 . 0 0 "[ ]" 1
830 1 63 TYR QE 1 97 GLU H 3.500 . 6.400 3.611 3.611 3.611 . 0 0 "[ ]" 1
831 1 63 TYR QE 1 96 ARG HA 2.500 . 5.400 2.627 2.627 2.627 . 0 0 "[ ]" 1
832 1 63 TYR QE 1 96 ARG QD 3.500 . 8.200 3.401 3.401 3.401 . 0 0 "[ ]" 1
833 1 45 TYR H 1 64 TRP H 3.500 . 4.000 3.042 3.042 3.042 . 0 0 "[ ]" 1
834 1 45 TYR QD 1 64 TRP H 4.500 . 7.400 5.557 5.557 5.557 . 0 0 "[ ]" 1
835 1 46 VAL HA 1 64 TRP H 4.500 . 5.000 2.823 2.823 2.823 . 0 0 "[ ]" 1
836 1 63 TYR HA 1 64 TRP H 2.500 . 3.000 2.133 2.133 2.133 . 0 0 "[ ]" 1
837 1 63 TYR HB2 1 64 TRP H 3.500 . 4.000 3.865 3.865 3.865 . 0 0 "[ ]" 1
838 1 63 TYR HB3 1 64 TRP H 4.500 . 5.000 4.475 4.475 4.475 . 0 0 "[ ]" 1
839 1 64 TRP H 1 64 TRP HE3 5.500 . 6.000 5.054 5.054 5.054 . 0 0 "[ ]" 1
840 1 64 TRP H 1 65 LEU MD2 4.500 . 6.000 3.549 3.549 3.549 . 0 0 "[ ]" 1
841 1 64 TRP H 1 77 ALA MB 4.500 . 6.000 4.173 4.173 4.173 . 0 0 "[ ]" 1
842 1 64 TRP H 1 106 PHE HZ 4.500 . 5.000 4.956 4.956 4.956 . 0 0 "[ ]" 1
843 1 64 TRP HA 1 65 LEU HB2 4.500 . 5.000 4.333 4.333 4.333 . 0 0 "[ ]" 1
844 1 64 TRP HA 1 65 LEU HG 4.500 . 5.000 5.102 5.102 5.102 0.102 1 0 "[ ]" 1
845 1 64 TRP HA 1 97 GLU HB2 3.500 . 4.000 1.866 1.866 1.866 . 0 0 "[ ]" 1
846 1 64 TRP HA 1 98 VAL HA 4.500 . 5.000 3.663 3.663 3.663 . 0 0 "[ ]" 1
847 1 64 TRP HA 1 106 PHE QE 3.500 . 6.400 5.320 5.320 5.320 . 0 0 "[ ]" 1
848 1 64 TRP HB2 1 65 LEU HA 5.500 . 6.000 5.793 5.793 5.793 . 0 0 "[ ]" 1
849 1 64 TRP HB2 1 106 PHE QE 3.500 . 6.400 3.468 3.468 3.468 . 0 0 "[ ]" 1
850 1 64 TRP HB2 1 106 PHE HZ 3.500 . 4.000 3.280 3.280 3.280 . 0 0 "[ ]" 1
851 1 64 TRP HB3 1 106 PHE HZ 3.500 . 4.000 4.103 4.103 4.103 0.103 1 0 "[ ]" 1
852 1 64 TRP HD1 1 97 GLU H 4.500 . 5.000 4.674 4.674 4.674 . 0 0 "[ ]" 1
853 1 64 TRP HD1 1 97 GLU HB2 3.500 . 4.000 1.974 1.974 1.974 . 0 0 "[ ]" 1
854 1 64 TRP HD1 1 97 GLU HB3 2.500 . 3.000 1.864 1.864 1.864 . 0 0 "[ ]" 1
855 1 64 TRP HD1 1 98 VAL H 4.500 . 5.000 3.147 3.147 3.147 . 0 0 "[ ]" 1
856 1 64 TRP HD1 1 102 GLU HA 3.500 . 4.000 4.089 4.089 4.089 0.089 1 0 "[ ]" 1
857 1 64 TRP HD1 1 106 PHE QD 2.500 . 5.400 4.449 4.449 4.449 . 0 0 "[ ]" 1
858 1 64 TRP HD1 1 106 PHE QE 3.500 . 6.400 4.586 4.586 4.586 . 0 0 "[ ]" 1
859 1 64 TRP HE1 1 97 GLU HB2 3.500 . 5.800 4.451 4.451 4.451 . 0 0 "[ ]" 1
860 1 64 TRP HE1 1 99 GLN HA 4.500 . 5.000 3.404 3.404 3.404 . 0 0 "[ ]" 1
861 1 41 GLU H 1 64 TRP HH2 4.500 . 5.000 4.651 4.651 4.651 . 0 0 "[ ]" 1
862 1 41 GLU HA 1 64 TRP HH2 2.500 . 3.000 1.790 1.790 1.790 0.010 1 0 "[ ]" 1
863 1 64 TRP HH2 1 66 GLY QA 3.500 . 5.800 3.625 3.625 3.625 . 0 0 "[ ]" 1
864 1 64 TRP HZ2 1 99 GLN HA 2.500 . 3.000 2.644 2.644 2.644 . 0 0 "[ ]" 1
865 1 64 TRP HZ2 1 116 TYR QE 2.500 . 5.400 3.624 3.624 3.624 . 0 0 "[ ]" 1
866 1 45 TYR QD 1 64 TRP HZ3 2.500 . 5.400 2.801 2.801 2.801 . 0 0 "[ ]" 1
867 1 45 TYR QE 1 64 TRP HZ3 2.500 . 5.400 3.080 3.080 3.080 . 0 0 "[ ]" 1
868 1 64 TRP HZ3 1 116 TYR QD 4.500 . 7.400 4.499 4.499 4.499 . 0 0 "[ ]" 1
869 1 64 TRP HA 1 65 LEU H 2.500 . 3.000 2.203 2.203 2.203 . 0 0 "[ ]" 1
870 1 64 TRP HE3 1 65 LEU H 4.500 . 5.000 5.036 5.036 5.036 0.036 1 0 "[ ]" 1
871 1 64 TRP HB2 1 65 LEU H 4.500 . 5.000 4.365 4.365 4.365 . 0 0 "[ ]" 1
872 1 65 LEU H 1 97 GLU H 4.500 . 5.000 4.153 4.153 4.153 . 0 0 "[ ]" 1
873 1 65 LEU H 1 97 GLU HB2 4.500 . 5.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
874 1 65 LEU H 1 98 VAL HA 3.500 . 4.000 1.863 1.863 1.863 . 0 0 "[ ]" 1
875 1 65 LEU H 1 98 VAL MG1 4.500 . 6.000 3.449 3.449 3.449 . 0 0 "[ ]" 1
876 1 65 LEU H 1 98 VAL MG2 4.500 . 6.000 3.376 3.376 3.376 . 0 0 "[ ]" 1
877 1 64 TRP HE3 1 65 LEU HA 4.500 . 5.000 5.059 5.059 5.059 0.059 1 0 "[ ]" 1
878 1 65 LEU HA 1 66 GLY QA 4.500 . 6.800 4.193 4.193 4.193 . 0 0 "[ ]" 1
879 1 44 CYS HB3 1 65 LEU MD1 4.500 . 6.000 4.257 4.257 4.257 . 0 0 "[ ]" 1
880 1 65 LEU MD1 1 66 GLY H 4.500 . 6.000 4.840 4.840 4.840 . 0 0 "[ ]" 1
881 1 65 LEU MD1 1 67 LYS QE 3.500 . 6.800 3.888 3.888 3.888 . 0 0 "[ ]" 1
882 1 65 LEU MD1 1 74 GLN QB 2.500 . 5.800 1.966 1.966 1.966 . 0 0 "[ ]" 1
883 1 65 LEU MD2 1 74 GLN HA 2.500 . 4.000 3.164 3.164 3.164 . 0 0 "[ ]" 1
884 1 65 LEU MD2 1 74 GLN QB 2.500 . 5.800 4.085 4.085 4.085 . 0 0 "[ ]" 1
885 1 65 LEU MD2 1 74 GLN QG 3.500 . 6.800 3.296 3.296 3.296 . 0 0 "[ ]" 1
886 1 65 LEU MD2 1 98 VAL HA 4.500 . 6.000 4.156 4.156 4.156 . 0 0 "[ ]" 1
887 1 43 ASP HA 1 66 GLY H 5.500 . 6.000 5.033 5.033 5.033 . 0 0 "[ ]" 1
888 1 44 CYS HA 1 66 GLY H 4.500 . 5.000 2.408 2.408 2.408 . 0 0 "[ ]" 1
889 1 65 LEU HA 1 66 GLY H 2.500 . 3.000 2.583 2.583 2.583 . 0 0 "[ ]" 1
890 1 65 LEU HB2 1 66 GLY H 4.500 . 5.000 4.505 4.505 4.505 . 0 0 "[ ]" 1
891 1 65 LEU MD2 1 66 GLY H 3.500 . 5.000 3.886 3.886 3.886 . 0 0 "[ ]" 1
892 1 66 GLY H 1 67 LYS H 4.500 . 5.000 4.141 4.141 4.141 . 0 0 "[ ]" 1
893 1 66 GLY QA 1 67 LYS H 3.500 . 5.800 2.238 2.238 2.238 . 0 0 "[ ]" 1
894 1 67 LYS H 1 67 LYS HB3 2.500 . 3.000 2.985 2.985 2.985 . 0 0 "[ ]" 1
895 1 67 LYS H 1 68 ASN H 3.500 . 4.000 4.148 4.148 4.148 0.148 1 0 "[ ]" 1
896 1 67 LYS HA 1 68 ASN HA 4.500 . 5.000 4.331 4.331 4.331 . 0 0 "[ ]" 1
897 1 67 LYS HA 1 68 ASN H 3.500 . 4.000 2.195 2.195 2.195 . 0 0 "[ ]" 1
898 1 68 ASN H 1 68 ASN HB2 2.500 . 3.000 2.853 2.853 2.853 . 0 0 "[ ]" 1
899 1 68 ASN H 1 69 SER H 2.500 . 3.000 2.019 2.019 2.019 . 0 0 "[ ]" 1
900 1 43 ASP HA 1 69 SER H 2.500 . 3.000 3.108 3.108 3.108 0.108 1 0 "[ ]" 1
901 1 67 LYS HA 1 69 SER H 3.500 . 4.000 4.104 4.104 4.104 0.104 1 0 "[ ]" 1
902 1 68 ASN HA 1 69 SER H 3.500 . 4.000 3.561 3.561 3.561 . 0 0 "[ ]" 1
903 1 69 SER HA 1 70 SER H 2.500 . 3.000 2.878 2.878 2.878 . 0 0 "[ ]" 1
904 1 69 SER HB3 1 70 SER H 3.500 . 5.800 3.445 3.445 3.445 . 0 0 "[ ]" 1
905 1 70 SER H 1 70 SER HA 2.500 . 3.000 2.990 2.990 2.990 . 0 0 "[ ]" 1
906 1 70 SER H 1 73 GLU QB 4.500 . 6.800 1.925 1.925 1.925 . 0 0 "[ ]" 1
907 1 70 SER HA 1 71 GLN H 2.500 . 3.000 2.460 2.460 2.460 . 0 0 "[ ]" 1
908 1 70 SER HB3 1 71 GLN H 3.500 . 4.000 3.388 3.388 3.388 . 0 0 "[ ]" 1
909 1 70 SER HB2 1 71 GLN H 4.500 . 5.000 2.535 2.535 2.535 . 0 0 "[ ]" 1
910 1 71 GLN H 1 72 ASP H 2.500 . 3.000 2.925 2.925 2.925 . 0 0 "[ ]" 1
911 1 71 GLN HA 1 72 ASP H 3.500 . 4.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
912 1 71 GLN QB 1 72 ASP H 2.500 . 4.800 2.561 2.561 2.561 . 0 0 "[ ]" 1
913 1 72 ASP H 1 72 ASP HA 2.500 . 3.000 2.829 2.829 2.829 . 0 0 "[ ]" 1
914 1 72 ASP H 1 73 GLU H 2.500 . 3.000 2.794 2.794 2.794 . 0 0 "[ ]" 1
915 1 72 ASP HA 1 73 GLU H 4.500 . 5.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
916 1 72 ASP HB2 1 73 GLU H 2.500 . 4.800 3.788 3.788 3.788 . 0 0 "[ ]" 1
917 1 72 ASP HB3 1 73 GLU H 2.500 . 4.800 3.827 3.827 3.827 . 0 0 "[ ]" 1
918 1 73 GLU H 1 74 GLN H 3.500 . 4.000 2.746 2.746 2.746 . 0 0 "[ ]" 1
919 1 23 ILE MG 1 73 GLU HA 3.500 . 5.000 4.013 4.013 4.013 . 0 0 "[ ]" 1
920 1 71 GLN HA 1 74 GLN H 3.500 . 4.000 3.365 3.365 3.365 . 0 0 "[ ]" 1
921 1 73 GLU QB 1 74 GLN H 3.500 . 5.800 2.569 2.569 2.569 . 0 0 "[ ]" 1
922 1 74 GLN H 1 75 GLY H 2.500 . 3.000 2.642 2.642 2.642 . 0 0 "[ ]" 1
923 1 74 GLN HA 1 77 ALA MB 3.500 . 5.000 3.276 3.276 3.276 . 0 0 "[ ]" 1
924 1 72 ASP HA 1 75 GLY H 2.500 . 3.000 3.080 3.080 3.080 0.080 1 0 "[ ]" 1
925 1 74 GLN HA 1 75 GLY H 4.500 . 5.000 3.539 3.539 3.539 . 0 0 "[ ]" 1
926 1 74 GLN QB 1 75 GLY H 2.500 . 4.800 2.704 2.704 2.704 . 0 0 "[ ]" 1
927 1 75 GLY H 1 76 ALA H 2.500 . 3.000 2.506 2.506 2.506 . 0 0 "[ ]" 1
928 1 75 GLY H 1 76 ALA MB 4.500 . 6.000 4.213 4.213 4.213 . 0 0 "[ ]" 1
929 1 73 GLU HA 1 76 ALA H 2.500 . 3.000 3.055 3.055 3.055 0.055 1 0 "[ ]" 1
930 1 76 ALA H 1 76 ALA MB 2.500 . 4.000 2.247 2.247 2.247 . 0 0 "[ ]" 1
931 1 75 GLY QA 1 76 ALA H 3.500 . 5.800 2.852 2.852 2.852 . 0 0 "[ ]" 1
932 1 76 ALA H 1 79 ILE HB 4.500 . 5.000 5.025 5.025 5.025 0.025 1 0 "[ ]" 1
933 1 76 ALA H 1 79 ILE MD 4.500 . 6.000 3.691 3.691 3.691 . 0 0 "[ ]" 1
934 1 76 ALA HA 1 79 ILE MD 3.500 . 5.000 1.854 1.854 1.854 . 0 0 "[ ]" 1
935 1 76 ALA MB 1 80 TYR QD 2.500 . 6.400 3.434 3.434 3.434 . 0 0 "[ ]" 1
936 1 76 ALA MB 1 80 TYR QE 3.500 . 7.400 1.868 1.868 1.868 . 0 0 "[ ]" 1
937 1 23 ILE MD 1 77 ALA H 4.500 . 6.000 3.102 3.102 3.102 . 0 0 "[ ]" 1
938 1 73 GLU HA 1 77 ALA H 3.500 . 4.000 3.946 3.946 3.946 . 0 0 "[ ]" 1
939 1 74 GLN HA 1 77 ALA H 3.500 . 4.000 3.868 3.868 3.868 . 0 0 "[ ]" 1
940 1 76 ALA H 1 77 ALA H 2.500 . 3.000 2.842 2.842 2.842 . 0 0 "[ ]" 1
941 1 76 ALA HA 1 77 ALA H 4.500 . 5.000 3.589 3.589 3.589 . 0 0 "[ ]" 1
942 1 76 ALA MB 1 77 ALA H 2.500 . 4.000 1.961 1.961 1.961 . 0 0 "[ ]" 1
943 1 77 ALA H 1 77 ALA MB 2.500 . 4.000 2.164 2.164 2.164 . 0 0 "[ ]" 1
944 1 77 ALA H 1 78 ALA H 2.500 . 3.000 2.881 2.881 2.881 . 0 0 "[ ]" 1
945 1 77 ALA H 1 80 TYR QD 4.500 . 7.400 3.747 3.747 3.747 . 0 0 "[ ]" 1
946 1 77 ALA H 1 80 TYR QE 4.500 . 7.400 3.929 3.929 3.929 . 0 0 "[ ]" 1
947 1 23 ILE MD 1 77 ALA HA 2.500 . 4.000 2.333 2.333 2.333 . 0 0 "[ ]" 1
948 1 46 VAL MG2 1 77 ALA HA 2.500 . 4.000 2.570 2.570 2.570 . 0 0 "[ ]" 1
949 1 76 ALA MB 1 77 ALA HA 3.500 . 5.000 3.716 3.716 3.716 . 0 0 "[ ]" 1
950 1 77 ALA HA 1 80 TYR H 3.500 . 4.000 3.784 3.784 3.784 . 0 0 "[ ]" 1
951 1 77 ALA HA 1 80 TYR QD 2.500 . 5.400 2.194 2.194 2.194 . 0 0 "[ ]" 1
952 1 44 CYS HA 1 77 ALA MB 4.500 . 6.000 4.041 4.041 4.041 . 0 0 "[ ]" 1
953 1 45 TYR H 1 77 ALA MB 3.500 . 5.000 3.770 3.770 3.770 . 0 0 "[ ]" 1
954 1 63 TYR HB3 1 77 ALA MB 3.500 . 5.000 4.016 4.016 4.016 . 0 0 "[ ]" 1
955 1 77 ALA MB 1 78 ALA MB 2.500 . 6.000 3.681 3.681 3.681 . 0 0 "[ ]" 1
956 1 76 ALA H 1 77 ALA MB 4.500 . 6.000 4.342 4.342 4.342 . 0 0 "[ ]" 1
957 1 75 GLY QA 1 78 ALA H 2.500 . 4.800 3.663 3.663 3.663 . 0 0 "[ ]" 1
958 1 77 ALA MB 1 78 ALA H 2.500 . 4.000 2.599 2.599 2.599 . 0 0 "[ ]" 1
959 1 78 ALA H 1 78 ALA MB 2.500 . 4.000 2.260 2.260 2.260 . 0 0 "[ ]" 1
960 1 78 ALA H 1 79 ILE H 2.500 . 3.000 2.560 2.560 2.560 . 0 0 "[ ]" 1
961 1 78 ALA HA 1 81 THR HB 2.500 . 3.000 2.507 2.507 2.507 . 0 0 "[ ]" 1
962 1 78 ALA MB 1 79 ILE HA 4.500 . 6.000 3.838 3.838 3.838 . 0 0 "[ ]" 1
963 1 76 ALA HA 1 79 ILE H 3.500 . 4.000 3.219 3.219 3.219 . 0 0 "[ ]" 1
964 1 78 ALA HA 1 79 ILE H 4.500 . 5.000 3.551 3.551 3.551 . 0 0 "[ ]" 1
965 1 79 ILE H 1 81 THR H 4.500 . 5.000 4.166 4.166 4.166 . 0 0 "[ ]" 1
966 1 79 ILE HA 1 82 THR HB 2.500 . 3.000 2.246 2.246 2.246 . 0 0 "[ ]" 1
967 1 79 ILE HA 1 82 THR MG 3.500 . 5.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
968 1 76 ALA HA 1 80 TYR H 3.500 . 4.000 4.019 4.019 4.019 0.019 1 0 "[ ]" 1
969 1 79 ILE H 1 80 TYR H 2.500 . 3.000 2.828 2.828 2.828 . 0 0 "[ ]" 1
970 1 79 ILE HA 1 80 TYR H 4.500 . 5.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
971 1 79 ILE HB 1 80 TYR H 3.500 . 4.000 2.508 2.508 2.508 . 0 0 "[ ]" 1
972 1 79 ILE MD 1 80 TYR H 4.500 . 6.000 4.181 4.181 4.181 . 0 0 "[ ]" 1
973 1 79 ILE QG 1 80 TYR H 3.500 . 5.800 4.217 4.217 4.217 . 0 0 "[ ]" 1
974 1 79 ILE MG 1 80 TYR H 2.500 . 4.000 2.970 2.970 2.970 . 0 0 "[ ]" 1
975 1 80 TYR H 1 81 THR H 3.500 . 4.000 2.774 2.774 2.774 . 0 0 "[ ]" 1
976 1 23 ILE MD 1 80 TYR QD 2.500 . 6.400 3.081 3.081 3.081 . 0 0 "[ ]" 1
977 1 46 VAL MG1 1 81 THR H 4.500 . 6.000 3.501 3.501 3.501 . 0 0 "[ ]" 1
978 1 46 VAL MG2 1 81 THR H 3.500 . 5.000 2.960 2.960 2.960 . 0 0 "[ ]" 1
979 1 78 ALA HA 1 81 THR H 3.500 . 4.000 3.492 3.492 3.492 . 0 0 "[ ]" 1
980 1 80 TYR HB2 1 81 THR H 4.500 . 5.000 2.514 2.514 2.514 . 0 0 "[ ]" 1
981 1 80 TYR QD 1 81 THR H 3.500 . 6.400 3.895 3.895 3.895 . 0 0 "[ ]" 1
982 1 81 THR H 1 81 THR HB 2.500 . 3.000 2.331 2.331 2.331 . 0 0 "[ ]" 1
983 1 81 THR H 1 82 THR H 2.500 . 3.000 2.560 2.560 2.560 . 0 0 "[ ]" 1
984 1 81 THR H 1 82 THR HB 4.500 . 5.000 4.590 4.590 4.590 . 0 0 "[ ]" 1
985 1 61 ILE HB 1 81 THR MG 2.500 . 4.000 2.223 2.223 2.223 . 0 0 "[ ]" 1
986 1 63 TYR HB3 1 81 THR MG 2.500 . 4.000 3.160 3.160 3.160 . 0 0 "[ ]" 1
987 1 81 THR MG 1 85 ASP QB 2.500 . 5.800 3.141 3.141 3.141 . 0 0 "[ ]" 1
988 1 81 THR MG 1 94 GLN HA 3.500 . 5.000 3.277 3.277 3.277 . 0 0 "[ ]" 1
989 1 81 THR MG 1 94 GLN QB 2.500 . 5.800 3.822 3.822 3.822 . 0 0 "[ ]" 1
990 1 81 THR MG 1 94 GLN QG 2.500 . 5.800 2.088 2.088 2.088 . 0 0 "[ ]" 1
991 1 78 ALA HA 1 82 THR H 4.500 . 5.000 4.273 4.273 4.273 . 0 0 "[ ]" 1
992 1 79 ILE HA 1 82 THR H 3.500 . 4.000 3.274 3.274 3.274 . 0 0 "[ ]" 1
993 1 81 THR HB 1 82 THR H 2.500 . 3.000 3.004 3.004 3.004 0.004 1 0 "[ ]" 1
994 1 82 THR H 1 82 THR HB 2.500 . 3.000 2.277 2.277 2.277 . 0 0 "[ ]" 1
995 1 82 THR H 1 83 GLN H 3.500 . 4.000 2.349 2.349 2.349 . 0 0 "[ ]" 1
996 1 82 THR H 1 84 MET H 3.500 . 4.000 4.012 4.012 4.012 0.012 1 0 "[ ]" 1
997 1 82 THR HA 1 85 ASP QB 2.500 . 4.800 2.604 2.604 2.604 . 0 0 "[ ]" 1
998 1 79 ILE MG 1 82 THR HB 3.500 . 5.000 3.523 3.523 3.523 . 0 0 "[ ]" 1
999 1 82 THR HB 1 85 ASP QB 4.500 . 6.800 5.181 5.181 5.181 . 0 0 "[ ]" 1
1000 1 79 ILE MG 1 82 THR MG 3.500 . 6.000 3.866 3.866 3.866 . 0 0 "[ ]" 1
1001 1 82 THR MG 1 86 GLU QG 3.500 . 6.800 4.383 4.383 4.383 . 0 0 "[ ]" 1
1002 1 79 ILE HA 1 83 GLN H 4.500 . 5.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
1003 1 79 ILE MG 1 83 GLN H 4.500 . 6.000 4.093 4.093 4.093 . 0 0 "[ ]" 1
1004 1 80 TYR HA 1 83 GLN H 3.500 . 4.000 3.177 3.177 3.177 . 0 0 "[ ]" 1
1005 1 82 THR HB 1 83 GLN H 3.500 . 4.000 3.141 3.141 3.141 . 0 0 "[ ]" 1
1006 1 82 THR MG 1 83 GLN H 3.500 . 5.000 3.491 3.491 3.491 . 0 0 "[ ]" 1
1007 1 83 GLN H 1 84 MET H 2.500 . 3.000 2.353 2.353 2.353 . 0 0 "[ ]" 1
1008 1 83 GLN QG 1 87 TYR QE 4.500 . 9.200 4.814 4.814 4.814 . 0 0 "[ ]" 1
1009 1 8 THR MG 1 84 MET H 4.500 . 6.000 3.960 3.960 3.960 . 0 0 "[ ]" 1
1010 1 83 GLN HA 1 84 MET H 4.500 . 5.000 3.525 3.525 3.525 . 0 0 "[ ]" 1
1011 1 84 MET H 1 84 MET QB 2.500 . 4.800 2.756 2.756 2.756 . 0 0 "[ ]" 1
1012 1 84 MET H 1 85 ASP H 3.500 . 4.000 2.316 2.316 2.316 . 0 0 "[ ]" 1
1013 1 8 THR MG 1 84 MET HA 2.500 . 4.000 2.473 2.473 2.473 . 0 0 "[ ]" 1
1014 1 84 MET HA 1 87 TYR QB 3.500 . 5.800 2.205 2.205 2.205 . 0 0 "[ ]" 1
1015 1 84 MET HA 1 88 LEU MD1 3.500 . 5.000 3.848 3.848 3.848 . 0 0 "[ ]" 1
1016 1 84 MET HA 1 88 LEU MD2 4.500 . 6.000 4.785 4.785 4.785 . 0 0 "[ ]" 1
1017 1 84 MET QB 1 87 TYR QB 3.500 . 7.600 3.869 3.869 3.869 . 0 0 "[ ]" 1
1018 1 61 ILE MD 1 85 ASP H 3.500 . 5.000 2.610 2.610 2.610 . 0 0 "[ ]" 1
1019 1 81 THR MG 1 85 ASP H 4.500 . 6.000 4.163 4.163 4.163 . 0 0 "[ ]" 1
1020 1 82 THR HA 1 85 ASP H 3.500 . 4.000 3.431 3.431 3.431 . 0 0 "[ ]" 1
1021 1 84 MET HA 1 85 ASP H 4.500 . 5.000 3.444 3.444 3.444 . 0 0 "[ ]" 1
1022 1 84 MET QB 1 85 ASP H 2.500 . 4.800 3.652 3.652 3.652 . 0 0 "[ ]" 1
1023 1 85 ASP H 1 86 GLU H 3.500 . 4.000 2.620 2.620 2.620 . 0 0 "[ ]" 1
1024 1 85 ASP HA 1 88 LEU MD1 2.500 . 4.000 2.697 2.697 2.697 . 0 0 "[ ]" 1
1025 1 85 ASP HA 1 92 ALA MB 2.500 . 4.000 2.301 2.301 2.301 . 0 0 "[ ]" 1
1026 1 85 ASP QB 1 86 GLU H 3.500 . 5.800 2.557 2.557 2.557 . 0 0 "[ ]" 1
1027 1 86 GLU H 1 86 GLU HA 2.500 . 3.000 2.954 2.954 2.954 . 0 0 "[ ]" 1
1028 1 86 GLU H 1 86 GLU QB 2.500 . 4.800 2.185 2.185 2.185 . 0 0 "[ ]" 1
1029 1 86 GLU QB 1 87 TYR H 3.500 . 5.800 2.740 2.740 2.740 . 0 0 "[ ]" 1
1030 1 84 MET HA 1 87 TYR H 3.500 . 4.000 3.263 3.263 3.263 . 0 0 "[ ]" 1
1031 1 86 GLU H 1 87 TYR H 2.500 . 3.000 2.309 2.309 2.309 . 0 0 "[ ]" 1
1032 1 86 GLU HA 1 87 TYR H 3.500 . 4.000 3.545 3.545 3.545 . 0 0 "[ ]" 1
1033 1 87 TYR H 1 87 TYR QD 3.500 . 6.400 2.335 2.335 2.335 . 0 0 "[ ]" 1
1034 1 87 TYR H 1 87 TYR QE 4.500 . 7.400 4.694 4.694 4.694 . 0 0 "[ ]" 1
1035 1 87 TYR H 1 88 LEU H 3.500 . 4.000 2.589 2.589 2.589 . 0 0 "[ ]" 1
1036 1 8 THR MG 1 87 TYR QB 3.500 . 6.800 2.467 2.467 2.467 . 0 0 "[ ]" 1
1037 1 87 TYR QB 1 88 LEU MD1 3.500 . 6.800 4.715 4.715 4.715 . 0 0 "[ ]" 1
1038 1 87 TYR QB 1 88 LEU MD2 3.500 . 6.800 4.539 4.539 4.539 . 0 0 "[ ]" 1
1039 1 11 LEU MD1 1 87 TYR QD 2.500 . 8.200 4.770 4.770 4.770 . 0 0 "[ ]" 1
1040 1 11 LEU MD2 1 87 TYR QD 2.500 . 8.200 6.111 6.111 6.111 . 0 0 "[ ]" 1
1041 1 85 ASP HA 1 88 LEU H 3.500 . 4.000 3.989 3.989 3.989 . 0 0 "[ ]" 1
1042 1 87 TYR QB 1 88 LEU H 3.500 . 5.800 3.095 3.095 3.095 . 0 0 "[ ]" 1
1043 1 87 TYR QD 1 88 LEU H 3.500 . 6.400 4.553 4.553 4.553 . 0 0 "[ ]" 1
1044 1 59 TYR HB2 1 88 LEU MD1 3.500 . 5.000 2.844 2.844 2.844 . 0 0 "[ ]" 1
1045 1 84 MET QB 1 88 LEU MD1 4.500 . 7.800 2.272 2.272 2.272 . 0 0 "[ ]" 1
1046 1 84 MET QG 1 88 LEU MD1 3.500 . 6.800 3.230 3.230 3.230 . 0 0 "[ ]" 1
1047 1 88 LEU MD1 1 92 ALA HA 4.500 . 6.000 4.055 4.055 4.055 . 0 0 "[ ]" 1
1048 1 11 LEU MD1 1 88 LEU MD2 2.500 . 6.800 1.845 1.845 1.845 . 0 0 "[ ]" 1
1049 1 11 LEU MD2 1 88 LEU MD2 2.500 . 6.800 3.662 3.662 3.662 . 0 0 "[ ]" 1
1050 1 88 LEU MD2 1 92 ALA MB 3.500 . 6.000 3.581 3.581 3.581 . 0 0 "[ ]" 1
1051 1 88 LEU H 1 89 GLY H 3.500 . 4.000 2.390 2.390 2.390 . 0 0 "[ ]" 1
1052 1 88 LEU HB2 1 89 GLY H 3.500 . 4.000 3.107 3.107 3.107 . 0 0 "[ ]" 1
1053 1 89 GLY H 1 90 SER H 2.500 . 3.000 1.882 1.882 1.882 . 0 0 "[ ]" 1
1054 1 90 SER H 1 90 SER HA 2.500 . 3.000 2.360 2.360 2.360 . 0 0 "[ ]" 1
1055 1 90 SER H 1 91 VAL H 3.500 . 4.000 2.620 2.620 2.620 . 0 0 "[ ]" 1
1056 1 90 SER HA 1 91 VAL H 3.500 . 4.000 3.306 3.306 3.306 . 0 0 "[ ]" 1
1057 1 91 VAL H 1 92 ALA H 2.500 . 3.000 2.379 2.379 2.379 . 0 0 "[ ]" 1
1058 1 91 VAL H 1 92 ALA MB 3.500 . 5.000 4.039 4.039 4.039 . 0 0 "[ ]" 1
1059 1 59 TYR QD 1 91 VAL MG2 2.500 . 6.400 1.741 1.741 1.741 0.059 1 0 "[ ]" 1
1060 1 59 TYR QE 1 91 VAL MG2 2.500 . 6.400 1.848 1.848 1.848 . 0 0 "[ ]" 1
1061 1 90 SER HA 1 92 ALA H 3.500 . 4.000 3.529 3.529 3.529 . 0 0 "[ ]" 1
1062 1 91 VAL HA 1 92 ALA H 3.500 . 4.000 3.399 3.399 3.399 . 0 0 "[ ]" 1
1063 1 91 VAL HB 1 92 ALA H 4.500 . 5.000 4.113 4.113 4.113 . 0 0 "[ ]" 1
1064 1 91 VAL MG1 1 92 ALA H 3.500 . 5.000 4.090 4.090 4.090 . 0 0 "[ ]" 1
1065 1 92 ALA H 1 92 ALA MB 2.500 . 4.000 2.265 2.265 2.265 . 0 0 "[ ]" 1
1066 1 60 ASN HA 1 92 ALA MB 3.500 . 5.000 3.508 3.508 3.508 . 0 0 "[ ]" 1
1067 1 60 ASN HA 1 93 VAL H 4.500 . 5.000 1.974 1.974 1.974 . 0 0 "[ ]" 1
1068 1 61 ILE H 1 93 VAL H 4.500 . 5.000 2.275 2.275 2.275 . 0 0 "[ ]" 1
1069 1 92 ALA HA 1 93 VAL H 2.500 . 3.000 2.528 2.528 2.528 . 0 0 "[ ]" 1
1070 1 92 ALA MB 1 93 VAL H 3.500 . 5.000 2.321 2.321 2.321 . 0 0 "[ ]" 1
1071 1 93 VAL H 1 93 VAL HB 2.500 . 3.000 2.843 2.843 2.843 . 0 0 "[ ]" 1
1072 1 93 VAL HA 1 94 GLN HA 4.500 . 5.000 4.485 4.485 4.485 . 0 0 "[ ]" 1
1073 1 93 VAL HB 1 95 HIS HE1 3.500 . 4.000 2.334 2.334 2.334 . 0 0 "[ ]" 1
1074 1 92 ALA HA 1 93 VAL MG2 2.500 . 4.000 3.020 3.020 3.020 . 0 0 "[ ]" 1
1075 1 93 VAL MG2 1 95 HIS HE1 2.500 . 4.000 3.215 3.215 3.215 . 0 0 "[ ]" 1
1076 1 93 VAL MG1 1 94 GLN QG 4.500 . 7.800 4.989 4.989 4.989 . 0 0 "[ ]" 1
1077 1 93 VAL MG1 1 95 HIS HE1 2.500 . 4.000 2.559 2.559 2.559 . 0 0 "[ ]" 1
1078 1 93 VAL HA 1 94 GLN H 2.500 . 3.000 2.578 2.578 2.578 . 0 0 "[ ]" 1
1079 1 93 VAL MG1 1 94 GLN H 2.500 . 4.000 1.803 1.803 1.803 . 0 0 "[ ]" 1
1080 1 93 VAL MG2 1 94 GLN H 3.500 . 5.000 3.892 3.892 3.892 . 0 0 "[ ]" 1
1081 1 61 ILE HB 1 94 GLN HA 2.500 . 3.000 3.005 3.005 3.005 0.005 1 0 "[ ]" 1
1082 1 93 VAL MG1 1 94 GLN HA 3.500 . 5.000 4.047 4.047 4.047 . 0 0 "[ ]" 1
1083 1 62 HIS HA 1 95 HIS H 3.500 . 4.000 2.297 2.297 2.297 . 0 0 "[ ]" 1
1084 1 63 TYR H 1 95 HIS H 4.500 . 5.000 3.827 3.827 3.827 . 0 0 "[ ]" 1
1085 1 81 THR MG 1 95 HIS H 3.500 . 5.000 3.683 3.683 3.683 . 0 0 "[ ]" 1
1086 1 94 GLN HA 1 95 HIS H 2.500 . 3.000 2.214 2.214 2.214 . 0 0 "[ ]" 1
1087 1 94 GLN QB 1 95 HIS H 3.500 . 5.800 3.615 3.615 3.615 . 0 0 "[ ]" 1
1088 1 95 HIS H 1 95 HIS HB2 2.500 . 3.000 2.873 2.873 2.873 . 0 0 "[ ]" 1
1089 1 95 HIS H 1 95 HIS HD2 3.500 . 4.000 3.099 3.099 3.099 . 0 0 "[ ]" 1
1090 1 62 HIS HA 1 95 HIS HB3 3.500 . 4.000 4.044 4.044 4.044 0.044 1 0 "[ ]" 1
1091 1 60 ASN HA 1 95 HIS HD2 3.500 . 4.000 4.031 4.031 4.031 0.031 1 0 "[ ]" 1
1092 1 61 ILE H 1 95 HIS HD2 3.500 . 4.000 3.782 3.782 3.782 . 0 0 "[ ]" 1
1093 1 62 HIS HA 1 95 HIS HD2 3.500 . 4.000 2.744 2.744 2.744 . 0 0 "[ ]" 1
1094 1 94 GLN HA 1 95 HIS HD2 3.500 . 4.000 3.882 3.882 3.882 . 0 0 "[ ]" 1
1095 1 95 HIS HA 1 96 ARG H 3.500 . 4.000 2.331 2.331 2.331 . 0 0 "[ ]" 1
1096 1 96 ARG HA 1 97 GLU HA 4.500 . 5.000 4.467 4.467 4.467 . 0 0 "[ ]" 1
1097 1 96 ARG HA 1 98 VAL MG2 4.500 . 6.000 4.851 4.851 4.851 . 0 0 "[ ]" 1
1098 1 63 TYR H 1 97 GLU H 3.500 . 4.000 3.561 3.561 3.561 . 0 0 "[ ]" 1
1099 1 64 TRP HA 1 97 GLU H 3.500 . 4.000 3.430 3.430 3.430 . 0 0 "[ ]" 1
1100 1 96 ARG HA 1 97 GLU H 2.500 . 3.000 2.207 2.207 2.207 . 0 0 "[ ]" 1
1101 1 96 ARG QB 1 97 GLU H 3.500 . 5.800 3.749 3.749 3.749 . 0 0 "[ ]" 1
1102 1 96 ARG QG 1 97 GLU H 3.500 . 5.800 2.630 2.630 2.630 . 0 0 "[ ]" 1
1103 1 97 GLU H 1 98 VAL H 4.500 . 5.000 4.442 4.442 4.442 . 0 0 "[ ]" 1
1104 1 97 GLU HA 1 98 VAL HA 4.500 . 5.000 4.584 4.584 4.584 . 0 0 "[ ]" 1
1105 1 97 GLU HA 1 102 GLU HA 3.500 . 4.000 3.959 3.959 3.959 . 0 0 "[ ]" 1
1106 1 97 GLU HA 1 106 PHE QD 4.500 . 7.400 6.538 6.538 6.538 . 0 0 "[ ]" 1
1107 1 97 GLU HB3 1 101 HIS HB2 3.500 . 4.000 4.064 4.064 4.064 0.064 1 0 "[ ]" 1
1108 1 97 GLU HA 1 98 VAL H 2.500 . 3.000 2.430 2.430 2.430 . 0 0 "[ ]" 1
1109 1 98 VAL H 1 98 VAL HB 2.500 . 3.000 3.073 3.073 3.073 0.073 1 0 "[ ]" 1
1110 1 98 VAL H 1 101 HIS HB3 4.500 . 5.000 2.644 2.644 2.644 . 0 0 "[ ]" 1
1111 1 98 VAL H 1 101 HIS HB2 4.500 . 5.000 1.862 1.862 1.862 . 0 0 "[ ]" 1
1112 1 66 GLY H 1 98 VAL HA 3.500 . 4.000 4.083 4.083 4.083 0.083 1 0 "[ ]" 1
1113 1 98 VAL HB 1 101 HIS HB2 2.500 . 3.000 2.291 2.291 2.291 . 0 0 "[ ]" 1
1114 1 98 VAL HB 1 101 HIS HB3 3.500 . 4.000 4.015 4.015 4.015 0.015 1 0 "[ ]" 1
1115 1 98 VAL MG1 1 101 HIS HB2 3.500 . 5.000 3.830 3.830 3.830 . 0 0 "[ ]" 1
1116 1 98 VAL MG1 1 101 HIS HB3 4.500 . 6.000 5.128 5.128 5.128 . 0 0 "[ ]" 1
1117 1 98 VAL MG1 1 101 HIS HD2 2.500 . 4.000 3.285 3.285 3.285 . 0 0 "[ ]" 1
1118 1 97 GLU HA 1 98 VAL MG2 3.500 . 5.000 2.842 2.842 2.842 . 0 0 "[ ]" 1
1119 1 98 VAL MG2 1 101 HIS HB2 3.500 . 5.000 1.830 1.830 1.830 . 0 0 "[ ]" 1
1120 1 98 VAL MG2 1 101 HIS HB3 4.500 . 6.000 2.615 2.615 2.615 . 0 0 "[ ]" 1
1121 1 98 VAL MG2 1 101 HIS HD2 2.500 . 4.000 1.980 1.980 1.980 . 0 0 "[ ]" 1
1122 1 65 LEU H 1 99 GLN H 4.500 . 5.000 4.527 4.527 4.527 . 0 0 "[ ]" 1
1123 1 67 LYS H 1 99 GLN H 4.500 . 5.000 2.755 2.755 2.755 . 0 0 "[ ]" 1
1124 1 98 VAL HA 1 99 GLN H 2.500 . 3.000 2.835 2.835 2.835 . 0 0 "[ ]" 1
1125 1 98 VAL HB 1 99 GLN H 2.500 . 3.000 2.639 2.639 2.639 . 0 0 "[ ]" 1
1126 1 98 VAL MG1 1 99 GLN H 2.500 . 4.000 1.781 1.781 1.781 0.019 1 0 "[ ]" 1
1127 1 98 VAL MG2 1 99 GLN H 3.500 . 5.000 3.820 3.820 3.820 . 0 0 "[ ]" 1
1128 1 99 GLN HA 1 100 GLY H 2.500 . 3.000 3.215 3.215 3.215 0.215 1 0 "[ ]" 1
1129 1 98 VAL HB 1 100 GLY H 3.500 . 4.000 2.276 2.276 2.276 . 0 0 "[ ]" 1
1130 1 98 VAL H 1 101 HIS H 4.500 . 5.000 2.554 2.554 2.554 . 0 0 "[ ]" 1
1131 1 98 VAL HB 1 101 HIS H 4.500 . 5.000 2.956 2.956 2.956 . 0 0 "[ ]" 1
1132 1 98 VAL MG1 1 101 HIS H 4.500 . 6.000 4.338 4.338 4.338 . 0 0 "[ ]" 1
1133 1 99 GLN HA 1 101 HIS H 4.500 . 5.000 4.085 4.085 4.085 . 0 0 "[ ]" 1
1134 1 100 GLY H 1 101 HIS H 3.500 . 4.000 1.848 1.848 1.848 . 0 0 "[ ]" 1
1135 1 100 GLY QA 1 101 HIS H 4.500 . 6.800 2.863 2.863 2.863 . 0 0 "[ ]" 1
1136 1 101 HIS H 1 101 HIS HB2 2.500 . 3.000 2.401 2.401 2.401 . 0 0 "[ ]" 1
1137 1 101 HIS H 1 102 GLU H 2.500 . 3.000 1.846 1.846 1.846 . 0 0 "[ ]" 1
1138 1 101 HIS HA 1 102 GLU H 3.500 . 4.000 3.452 3.452 3.452 . 0 0 "[ ]" 1
1139 1 102 GLU HA 1 103 SER H 2.500 . 3.000 3.017 3.017 3.017 0.017 1 0 "[ ]" 1
1140 1 103 SER H 1 104 GLU H 4.500 . 5.000 3.866 3.866 3.866 . 0 0 "[ ]" 1
1141 1 103 SER H 1 104 GLU QG 4.500 . 6.800 5.838 5.838 5.838 . 0 0 "[ ]" 1
1142 1 102 GLU QB 1 103 SER H 4.500 . 6.800 3.998 3.998 3.998 . 0 0 "[ ]" 1
1143 1 103 SER HA 1 104 GLU H 4.500 . 5.000 3.425 3.425 3.425 . 0 0 "[ ]" 1
1144 1 103 SER HB3 1 104 GLU H 4.500 . 5.000 3.330 3.330 3.330 . 0 0 "[ ]" 1
1145 1 104 GLU QG 1 108 ALA MB 3.500 . 6.800 4.903 4.903 4.903 . 0 0 "[ ]" 1
1146 1 102 GLU HA 1 105 THR H 4.500 . 5.000 3.983 3.983 3.983 . 0 0 "[ ]" 1
1147 1 104 GLU H 1 105 THR H 2.500 . 3.000 2.690 2.690 2.690 . 0 0 "[ ]" 1
1148 1 104 GLU HA 1 105 THR H 3.500 . 4.000 3.458 3.458 3.458 . 0 0 "[ ]" 1
1149 1 104 GLU QB 1 105 THR H 2.500 . 4.800 3.076 3.076 3.076 . 0 0 "[ ]" 1
1150 1 104 GLU QG 1 105 THR H 4.500 . 6.800 4.361 4.361 4.361 . 0 0 "[ ]" 1
1151 1 105 THR H 1 105 THR HB 2.500 . 3.000 2.819 2.819 2.819 . 0 0 "[ ]" 1
1152 1 105 THR HA 1 107 ARG H 4.500 . 5.000 4.992 4.992 4.992 . 0 0 "[ ]" 1
1153 1 105 THR HA 1 108 ALA HA 4.500 . 5.000 5.033 5.033 5.033 0.033 1 0 "[ ]" 1
1154 1 105 THR HA 1 108 ALA MB 2.500 . 4.000 2.202 2.202 2.202 . 0 0 "[ ]" 1
1155 1 105 THR HA 1 109 TYR QD 4.500 . 7.400 5.249 5.249 5.249 . 0 0 "[ ]" 1
1156 1 105 THR HA 1 109 TYR QE 4.500 . 7.400 4.750 4.750 4.750 . 0 0 "[ ]" 1
1157 1 105 THR HB 1 106 PHE HB2 3.500 . 4.000 3.815 3.815 3.815 . 0 0 "[ ]" 1
1158 1 105 THR HB 1 109 TYR QE 4.500 . 7.400 4.613 4.613 4.613 . 0 0 "[ ]" 1
1159 1 105 THR MG 1 109 TYR QD 4.500 . 8.400 4.030 4.030 4.030 . 0 0 "[ ]" 1
1160 1 105 THR MG 1 109 TYR QE 2.500 . 6.400 2.665 2.665 2.665 . 0 0 "[ ]" 1
1161 1 105 THR H 1 106 PHE H 2.500 . 3.000 2.724 2.724 2.724 . 0 0 "[ ]" 1
1162 1 105 THR HA 1 106 PHE H 4.500 . 5.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
1163 1 105 THR HB 1 106 PHE H 3.500 . 4.000 2.244 2.244 2.244 . 0 0 "[ ]" 1
1164 1 105 THR MG 1 106 PHE H 4.500 . 6.000 3.608 3.608 3.608 . 0 0 "[ ]" 1
1165 1 106 PHE H 1 107 ARG QB 4.500 . 6.800 4.516 4.516 4.516 . 0 0 "[ ]" 1
1166 1 106 PHE HA 1 109 TYR QD 2.500 . 5.400 2.612 2.612 2.612 . 0 0 "[ ]" 1
1167 1 106 PHE HA 1 109 TYR QE 2.500 . 5.400 3.874 3.874 3.874 . 0 0 "[ ]" 1
1168 1 106 PHE QD 1 109 TYR QD 2.500 . 7.800 3.146 3.146 3.146 . 0 0 "[ ]" 1
1169 1 106 PHE QD 1 109 TYR QE 2.500 . 7.800 3.782 3.782 3.782 . 0 0 "[ ]" 1
1170 1 106 PHE QD 1 110 PHE QD 4.500 . 9.800 4.623 4.623 4.623 . 0 0 "[ ]" 1
1171 1 106 PHE QD 1 114 LEU MD1 2.500 . 6.400 1.910 1.910 1.910 . 0 0 "[ ]" 1
1172 1 106 PHE QD 1 114 LEU MD2 2.500 . 6.400 3.694 3.694 3.694 . 0 0 "[ ]" 1
1173 1 106 PHE QE 1 109 TYR QD 3.500 . 8.800 4.201 4.201 4.201 . 0 0 "[ ]" 1
1174 1 106 PHE QE 1 110 PHE QE 3.500 . 8.800 4.180 4.180 4.180 . 0 0 "[ ]" 1
1175 1 106 PHE HZ 1 110 PHE HZ 4.500 . 5.000 5.020 5.020 5.020 0.020 1 0 "[ ]" 1
1176 1 104 GLU HA 1 107 ARG H 4.500 . 5.000 3.878 3.878 3.878 . 0 0 "[ ]" 1
1177 1 106 PHE H 1 107 ARG H 2.500 . 3.000 2.806 2.806 2.806 . 0 0 "[ ]" 1
1178 1 106 PHE HA 1 107 ARG H 3.500 . 4.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
1179 1 106 PHE HB2 1 107 ARG H 3.500 . 4.000 3.123 3.123 3.123 . 0 0 "[ ]" 1
1180 1 106 PHE HB3 1 107 ARG H 3.500 . 4.000 2.325 2.325 2.325 . 0 0 "[ ]" 1
1181 1 106 PHE QD 1 107 ARG H 3.500 . 6.400 4.281 4.281 4.281 . 0 0 "[ ]" 1
1182 1 107 ARG H 1 107 ARG QB 2.500 . 4.800 2.196 2.196 2.196 . 0 0 "[ ]" 1
1183 1 107 ARG H 1 108 ALA H 2.500 . 3.000 2.674 2.674 2.674 . 0 0 "[ ]" 1
1184 1 107 ARG H 1 108 ALA MB 4.500 . 6.000 4.287 4.287 4.287 . 0 0 "[ ]" 1
1185 1 107 ARG H 1 109 TYR H 4.500 . 5.000 4.621 4.621 4.621 . 0 0 "[ ]" 1
1186 1 107 ARG H 1 114 LEU MD1 3.500 . 5.000 2.615 2.615 2.615 . 0 0 "[ ]" 1
1187 1 107 ARG H 1 114 LEU MD2 4.500 . 6.000 4.933 4.933 4.933 . 0 0 "[ ]" 1
1188 1 107 ARG HA 1 110 PHE QD 2.500 . 5.400 3.524 3.524 3.524 . 0 0 "[ ]" 1
1189 1 107 ARG HA 1 110 PHE QE 4.500 . 7.400 5.511 5.511 5.511 . 0 0 "[ ]" 1
1190 1 107 ARG HA 1 114 LEU MD2 2.500 . 4.000 3.289 3.289 3.289 . 0 0 "[ ]" 1
1191 1 107 ARG QD 1 114 LEU MD1 3.500 . 6.800 3.403 3.403 3.403 . 0 0 "[ ]" 1
1192 1 107 ARG QD 1 114 LEU MD2 4.500 . 7.800 4.585 4.585 4.585 . 0 0 "[ ]" 1
1193 1 105 THR HA 1 108 ALA H 4.500 . 5.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
1194 1 107 ARG HA 1 108 ALA H 3.500 . 4.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
1195 1 107 ARG QB 1 108 ALA H 3.500 . 5.800 2.808 2.808 2.808 . 0 0 "[ ]" 1
1196 1 107 ARG QG 1 108 ALA H 4.500 . 6.800 4.183 4.183 4.183 . 0 0 "[ ]" 1
1197 1 108 ALA H 1 108 ALA MB 2.500 . 4.000 2.108 2.108 2.108 . 0 0 "[ ]" 1
1198 1 108 ALA H 1 109 TYR H 2.500 . 3.000 2.878 2.878 2.878 . 0 0 "[ ]" 1
1199 1 108 ALA H 1 109 TYR QD 4.500 . 7.400 5.030 5.030 5.030 . 0 0 "[ ]" 1
1200 1 108 ALA H 1 110 PHE QD 4.500 . 7.400 4.857 4.857 4.857 . 0 0 "[ ]" 1
1201 1 108 ALA MB 1 109 TYR QD 3.500 . 7.400 3.690 3.690 3.690 . 0 0 "[ ]" 1
1202 1 108 ALA MB 1 109 TYR H 2.500 . 4.000 2.446 2.446 2.446 . 0 0 "[ ]" 1
1203 1 109 TYR H 1 109 TYR HA 2.500 . 3.000 2.876 2.876 2.876 . 0 0 "[ ]" 1
1204 1 109 TYR H 1 109 TYR HB2 2.500 . 3.000 2.565 2.565 2.565 . 0 0 "[ ]" 1
1205 1 109 TYR H 1 109 TYR QD 2.500 . 5.400 3.043 3.043 3.043 . 0 0 "[ ]" 1
1206 1 109 TYR H 1 109 TYR QE 4.500 . 7.400 4.326 4.326 4.326 . 0 0 "[ ]" 1
1207 1 109 TYR H 1 110 PHE H 2.500 . 3.000 2.559 2.559 2.559 . 0 0 "[ ]" 1
1208 1 109 TYR H 1 110 PHE HA 5.500 . 6.000 5.267 5.267 5.267 . 0 0 "[ ]" 1
1209 1 109 TYR H 1 110 PHE QD 3.500 . 6.400 3.385 3.385 3.385 . 0 0 "[ ]" 1
1210 1 109 TYR HB2 1 110 PHE QD 3.500 . 6.400 2.122 2.122 2.122 . 0 0 "[ ]" 1
1211 1 109 TYR HB2 1 110 PHE QE 3.500 . 6.400 2.705 2.705 2.705 . 0 0 "[ ]" 1
1212 1 109 TYR HB3 1 110 PHE QD 3.500 . 6.400 3.477 3.477 3.477 . 0 0 "[ ]" 1
1213 1 109 TYR HB3 1 110 PHE QE 3.500 . 6.400 3.570 3.570 3.570 . 0 0 "[ ]" 1
1214 1 109 TYR QD 1 110 PHE H 3.500 . 6.400 4.430 4.430 4.430 . 0 0 "[ ]" 1
1215 1 109 TYR QD 1 110 PHE QD 3.500 . 8.800 3.777 3.777 3.777 . 0 0 "[ ]" 1
1216 1 107 ARG HA 1 110 PHE H 4.500 . 5.000 2.966 2.966 2.966 . 0 0 "[ ]" 1
1217 1 108 ALA H 1 110 PHE H 4.500 . 5.000 3.721 3.721 3.721 . 0 0 "[ ]" 1
1218 1 108 ALA HA 1 110 PHE H 3.500 . 4.000 4.000 4.000 4.000 . 0 0 "[ ]" 1
1219 1 109 TYR HB2 1 110 PHE H 3.500 . 4.000 2.985 2.985 2.985 . 0 0 "[ ]" 1
1220 1 109 TYR HB3 1 110 PHE H 4.500 . 5.000 4.017 4.017 4.017 . 0 0 "[ ]" 1
1221 1 110 PHE H 1 110 PHE HB2 2.500 . 3.000 2.475 2.475 2.475 . 0 0 "[ ]" 1
1222 1 110 PHE H 1 110 PHE QD 2.500 . 5.400 2.174 2.174 2.174 . 0 0 "[ ]" 1
1223 1 110 PHE H 1 110 PHE QE 4.500 . 7.400 4.492 4.492 4.492 . 0 0 "[ ]" 1
1224 1 110 PHE H 1 111 LYS H 3.500 . 4.000 4.040 4.040 4.040 0.040 1 0 "[ ]" 1
1225 1 106 PHE QD 1 110 PHE QE 4.500 . 9.800 4.317 4.317 4.317 . 0 0 "[ ]" 1
1226 1 109 TYR QD 1 110 PHE QE 4.500 . 9.800 3.547 3.547 3.547 . 0 0 "[ ]" 1
1227 1 110 PHE HA 1 111 LYS H 2.500 . 3.000 2.274 2.274 2.274 . 0 0 "[ ]" 1
1228 1 110 PHE HB2 1 111 LYS H 4.500 . 5.000 4.499 4.499 4.499 . 0 0 "[ ]" 1
1229 1 110 PHE HB3 1 111 LYS H 3.500 . 4.000 3.978 3.978 3.978 . 0 0 "[ ]" 1
1230 1 110 PHE QD 1 111 LYS H 3.500 . 6.400 4.805 4.805 4.805 . 0 0 "[ ]" 1
1231 1 107 ARG QD 1 111 LYS HA 4.500 . 6.800 5.687 5.687 5.687 . 0 0 "[ ]" 1
1232 1 110 PHE HA 1 112 GLN H 4.500 . 5.000 4.504 4.504 4.504 . 0 0 "[ ]" 1
1233 1 110 PHE HB3 1 112 GLN H 4.500 . 5.000 3.693 3.693 3.693 . 0 0 "[ ]" 1
1234 1 111 LYS H 1 112 GLN H 4.500 . 5.000 3.802 3.802 3.802 . 0 0 "[ ]" 1
1235 1 111 LYS HA 1 112 GLN H 3.500 . 4.000 2.488 2.488 2.488 . 0 0 "[ ]" 1
1236 1 111 LYS QB 1 112 GLN H 3.500 . 5.800 3.899 3.899 3.899 . 0 0 "[ ]" 1
1237 1 112 GLN H 1 113 GLY H 2.500 . 3.000 2.924 2.924 2.924 . 0 0 "[ ]" 1
1238 1 110 PHE HB2 1 113 GLY H 4.500 . 5.000 4.582 4.582 4.582 . 0 0 "[ ]" 1
1239 1 110 PHE HB3 1 113 GLY H 3.500 . 4.000 3.370 3.370 3.370 . 0 0 "[ ]" 1
1240 1 112 GLN HA 1 113 GLY H 3.500 . 4.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
1241 1 112 GLN QB 1 113 GLY H 4.500 . 6.800 1.938 1.938 1.938 . 0 0 "[ ]" 1
1242 1 112 GLN QG 1 113 GLY H 4.500 . 6.800 3.954 3.954 3.954 . 0 0 "[ ]" 1
1243 1 113 GLY H 1 114 LEU H 3.500 . 4.000 4.021 4.021 4.021 0.021 1 0 "[ ]" 1
1244 1 113 GLY QA 1 114 LEU H 2.500 . 4.800 2.166 2.166 2.166 . 0 0 "[ ]" 1
1245 1 114 LEU HB3 1 116 TYR QE 2.500 . 5.400 3.322 3.322 3.322 . 0 0 "[ ]" 1
1246 1 114 LEU HG 1 116 TYR QE 3.500 . 6.400 5.318 5.318 5.318 . 0 0 "[ ]" 1
1247 1 39 PHE QD 1 114 LEU MD1 3.500 . 7.400 4.732 4.732 4.732 . 0 0 "[ ]" 1
1248 1 39 PHE QE 1 114 LEU MD1 2.500 . 6.400 2.857 2.857 2.857 . 0 0 "[ ]" 1
1249 1 39 PHE HZ 1 114 LEU MD1 2.500 . 4.000 2.097 2.097 2.097 . 0 0 "[ ]" 1
1250 1 107 ARG QB 1 114 LEU MD1 3.500 . 6.800 2.642 2.642 2.642 . 0 0 "[ ]" 1
1251 1 110 PHE HB2 1 114 LEU MD1 2.500 . 4.000 2.782 2.782 2.782 . 0 0 "[ ]" 1
1252 1 110 PHE HB3 1 114 LEU MD1 3.500 . 5.000 3.898 3.898 3.898 . 0 0 "[ ]" 1
1253 1 39 PHE QD 1 114 LEU MD2 3.500 . 7.400 4.286 4.286 4.286 . 0 0 "[ ]" 1
1254 1 39 PHE QE 1 114 LEU MD2 2.500 . 6.400 2.517 2.517 2.517 . 0 0 "[ ]" 1
1255 1 39 PHE HZ 1 114 LEU MD2 2.500 . 4.000 1.906 1.906 1.906 . 0 0 "[ ]" 1
1256 1 110 PHE HA 1 114 LEU MD2 4.500 . 6.000 3.934 3.934 3.934 . 0 0 "[ ]" 1
1257 1 110 PHE HB2 1 114 LEU MD2 2.500 . 4.000 2.237 2.237 2.237 . 0 0 "[ ]" 1
1258 1 110 PHE HB3 1 114 LEU MD2 3.500 . 5.000 1.950 1.950 1.950 . 0 0 "[ ]" 1
1259 1 110 PHE QD 1 114 LEU MD2 2.500 . 6.400 2.158 2.158 2.158 . 0 0 "[ ]" 1
1260 1 110 PHE QE 1 114 LEU MD2 2.500 . 6.400 3.104 3.104 3.104 . 0 0 "[ ]" 1
1261 1 114 LEU MD2 1 116 TYR QD 4.500 . 8.400 5.836 5.836 5.836 . 0 0 "[ ]" 1
1262 1 38 ASN HA 1 115 ILE H 3.500 . 4.000 2.805 2.805 2.805 . 0 0 "[ ]" 1
1263 1 114 LEU HA 1 115 ILE H 2.500 . 3.000 2.194 2.194 2.194 . 0 0 "[ ]" 1
1264 1 114 LEU MD2 1 115 ILE H 4.500 . 6.000 3.401 3.401 3.401 . 0 0 "[ ]" 1
1265 1 115 ILE H 1 115 ILE HB 2.500 . 3.000 2.271 2.271 2.271 . 0 0 "[ ]" 1
1266 1 115 ILE HA 1 116 TYR HA 4.500 . 5.000 4.537 4.537 4.537 . 0 0 "[ ]" 1
1267 1 115 ILE MG 1 116 TYR HA 4.500 . 6.000 3.094 3.094 3.094 . 0 0 "[ ]" 1
1268 1 115 ILE MG 1 117 LYS HA 4.500 . 6.000 3.728 3.728 3.728 . 0 0 "[ ]" 1
1269 1 115 ILE MG 1 117 LYS QD 2.500 . 5.800 2.645 2.645 2.645 . 0 0 "[ ]" 1
1270 1 115 ILE MG 1 117 LYS QE 2.500 . 5.800 3.281 3.281 3.281 . 0 0 "[ ]" 1
1271 1 38 ASN HA 1 115 ILE MD 3.500 . 5.000 3.849 3.849 3.849 . 0 0 "[ ]" 1
1272 1 115 ILE MD 1 117 LYS HA 5.500 . 7.000 5.669 5.669 5.669 . 0 0 "[ ]" 1
1273 1 115 ILE MD 1 117 LYS QE 2.500 . 5.800 3.876 3.876 3.876 . 0 0 "[ ]" 1
1274 1 115 ILE HA 1 116 TYR H 2.500 . 3.000 2.469 2.469 2.469 . 0 0 "[ ]" 1
1275 1 115 ILE MG 1 116 TYR H 2.500 . 4.000 1.775 1.775 1.775 0.025 1 0 "[ ]" 1
1276 1 116 TYR HA 1 117 LYS HA 4.500 . 5.000 4.500 4.500 4.500 . 0 0 "[ ]" 1
1277 1 114 LEU MD1 1 116 TYR QE 2.500 . 6.400 3.569 3.569 3.569 . 0 0 "[ ]" 1
1278 1 114 LEU MD2 1 116 TYR QE 4.500 . 8.400 4.943 4.943 4.943 . 0 0 "[ ]" 1
1279 1 40 TYR HA 1 117 LYS H 4.500 . 5.000 2.466 2.466 2.466 . 0 0 "[ ]" 1
1280 1 41 GLU H 1 117 LYS H 4.500 . 5.000 3.942 3.942 3.942 . 0 0 "[ ]" 1
1281 1 116 TYR HA 1 117 LYS H 2.500 . 3.000 2.223 2.223 2.223 . 0 0 "[ ]" 1
1282 1 116 TYR HB3 1 117 LYS H 4.500 . 5.000 3.906 3.906 3.906 . 0 0 "[ ]" 1
1283 1 116 TYR QD 1 117 LYS H 3.500 . 6.400 4.911 4.911 4.911 . 0 0 "[ ]" 1
1284 1 117 LYS HA 1 118 GLN QG 4.500 . 6.800 5.847 5.847 5.847 . 0 0 "[ ]" 1
1285 1 117 LYS HA 1 118 GLN H 2.500 . 3.000 2.745 2.745 2.745 . 0 0 "[ ]" 1
1286 1 117 LYS HB2 1 118 GLN H 3.500 . 4.000 3.223 3.223 3.223 . 0 0 "[ ]" 1
1287 1 117 LYS HB3 1 118 GLN H 3.500 . 4.000 1.903 1.903 1.903 . 0 0 "[ ]" 1
1288 1 118 GLN HA 1 119 GLY H 2.500 . 3.000 2.220 2.220 2.220 . 0 0 "[ ]" 1
1289 1 118 GLN QB 1 119 GLY H 3.500 . 5.800 3.582 3.582 3.582 . 0 0 "[ ]" 1
1290 1 118 GLN QG 1 119 GLY H 3.500 . 5.800 2.585 2.585 2.585 . 0 0 "[ ]" 1
1291 1 26 MET QG 1 120 GLY H 3.500 . 5.800 4.970 4.970 4.970 . 0 0 "[ ]" 1
1292 1 119 GLY H 1 120 GLY H 4.500 . 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
1293 1 119 GLY QA 1 120 GLY H 4.500 . 6.800 2.283 2.283 2.283 . 0 0 "[ ]" 1
1294 1 120 GLY QA 1 121 VAL H 3.500 . 5.800 2.496 2.496 2.496 . 0 0 "[ ]" 1
1295 1 121 VAL H 1 121 VAL HB 2.500 . 3.000 2.481 2.481 2.481 . 0 0 "[ ]" 1
1296 1 121 VAL H 1 122 ALA H 3.500 . 4.000 2.377 2.377 2.377 . 0 0 "[ ]" 1
1297 1 121 VAL HA 1 122 ALA MB 4.500 . 6.000 4.865 4.865 4.865 . 0 0 "[ ]" 1
1298 1 24 GLU HA 1 121 VAL MG1 3.500 . 6.800 3.901 3.901 3.901 . 0 0 "[ ]" 1
1299 1 24 GLU QB 1 121 VAL MG1 2.500 . 7.600 1.835 1.835 1.835 . 0 0 "[ ]" 1
1300 1 24 GLU QG 1 121 VAL MG1 2.500 . 7.600 1.937 1.937 1.937 . 0 0 "[ ]" 1
1301 1 121 VAL MG1 1 122 ALA MB 3.500 . 6.000 3.274 3.274 3.274 . 0 0 "[ ]" 1
1302 1 24 GLU HA 1 121 VAL MG2 3.500 . 6.800 5.688 5.688 5.688 . 0 0 "[ ]" 1
1303 1 24 GLU QB 1 121 VAL MG2 2.500 . 7.600 3.514 3.514 3.514 . 0 0 "[ ]" 1
1304 1 24 GLU QG 1 121 VAL MG2 2.500 . 5.800 4.069 4.069 4.069 . 0 0 "[ ]" 1
1305 1 121 VAL HA 1 122 ALA H 2.500 . 3.000 3.240 3.240 3.240 0.240 1 0 "[ ]" 1
1306 1 121 VAL HB 1 122 ALA H 3.500 . 4.000 4.126 4.126 4.126 0.126 1 0 "[ ]" 1
1307 1 121 VAL MG1 1 122 ALA H 2.500 . 5.800 2.818 2.818 2.818 . 0 0 "[ ]" 1
1308 1 121 VAL MG2 1 122 ALA H 2.500 . 5.800 4.220 4.220 4.220 . 0 0 "[ ]" 1
1309 1 122 ALA H 1 123 SER H 2.500 . 3.500 2.489 2.489 2.489 . 0 0 "[ ]" 1
1310 1 122 ALA HA 1 123 SER H 3.500 . 4.000 3.252 3.252 3.252 . 0 0 "[ ]" 1
1311 1 122 ALA MB 1 123 SER H 2.500 . 4.000 3.355 3.355 3.355 . 0 0 "[ ]" 1
1312 1 123 SER H 1 123 SER HA 2.500 . 3.000 2.876 2.876 2.876 . 0 0 "[ ]" 1
1313 1 123 SER H 1 123 SER QB 2.500 . 4.800 2.858 2.858 2.858 . 0 0 "[ ]" 1
1314 1 123 SER H 1 124 GLY H 2.500 . 3.000 3.038 3.038 3.038 0.038 1 0 "[ ]" 1
1315 1 122 ALA MB 1 123 SER HA 4.500 . 6.000 4.039 4.039 4.039 . 0 0 "[ ]" 1
1316 1 122 ALA HA 1 124 GLY H 4.500 . 5.000 4.993 4.993 4.993 . 0 0 "[ ]" 1
1317 1 123 SER HA 1 124 GLY H 3.500 . 4.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
1318 1 124 GLY H 1 125 MET H 2.500 . 3.000 2.893 2.893 2.893 . 0 0 "[ ]" 1
1319 1 124 GLY QA 1 125 MET H 3.500 . 5.800 2.843 2.843 2.843 . 0 0 "[ ]" 1
1320 1 125 MET HA 1 126 LYS H 3.500 . 4.000 3.580 3.580 3.580 . 0 0 "[ ]" 1
1321 1 125 MET HB3 1 126 LYS H 2.500 . 3.000 2.983 2.983 2.983 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 86
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 0.711
_Distance_constraint_stats_list.Viol_max 0.289
_Distance_constraint_stats_list.Viol_rms 0.0340
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0083
_Distance_constraint_stats_list.Viol_average_violations_only 0.0356
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 17 GLY 0.000 0.000 . 0 "[ ]"
1 19 GLN 0.000 0.000 . 0 "[ ]"
1 20 ILE 0.082 0.082 1 0 "[ ]"
1 21 TRP 0.047 0.047 1 0 "[ ]"
1 22 ARG 0.020 0.020 1 0 "[ ]"
1 29 VAL 0.020 0.020 1 0 "[ ]"
1 31 VAL 0.082 0.082 1 0 "[ ]"
1 37 GLY 0.001 0.001 1 0 "[ ]"
1 39 PHE 0.000 0.000 . 0 "[ ]"
1 41 GLU 0.000 0.000 . 0 "[ ]"
1 43 ASP 0.304 0.289 1 0 "[ ]"
1 45 TYR 0.000 0.000 . 0 "[ ]"
1 46 VAL 0.047 0.047 1 0 "[ ]"
1 47 LEU 0.014 0.014 1 0 "[ ]"
1 48 LEU 0.000 0.000 . 0 "[ ]"
1 49 SER 0.000 0.000 . 0 "[ ]"
1 50 THR 0.000 0.000 . 0 "[ ]"
1 51 ARG 0.005 0.005 1 0 "[ ]"
1 58 SER 0.005 0.005 1 0 "[ ]"
1 60 ASN 0.000 0.000 . 0 "[ ]"
1 61 ILE 0.000 0.000 . 0 "[ ]"
1 62 HIS 0.014 0.014 1 0 "[ ]"
1 63 TYR 0.054 0.047 1 0 "[ ]"
1 64 TRP 0.000 0.000 . 0 "[ ]"
1 65 LEU 0.000 0.000 . 0 "[ ]"
1 66 GLY 0.304 0.289 1 0 "[ ]"
1 70 SER 0.025 0.025 1 0 "[ ]"
1 71 GLN 0.008 0.008 1 0 "[ ]"
1 72 ASP 0.000 0.000 . 0 "[ ]"
1 73 GLU 0.000 0.000 . 0 "[ ]"
1 74 GLN 0.034 0.025 1 0 "[ ]"
1 75 GLY 0.008 0.008 1 0 "[ ]"
1 76 ALA 0.000 0.000 . 0 "[ ]"
1 77 ALA 0.004 0.004 1 0 "[ ]"
1 78 ALA 0.009 0.009 1 0 "[ ]"
1 79 ILE 0.000 0.000 . 0 "[ ]"
1 80 TYR 0.000 0.000 . 0 "[ ]"
1 81 THR 0.004 0.004 1 0 "[ ]"
1 82 THR 0.000 0.000 . 0 "[ ]"
1 83 GLN 0.001 0.001 1 0 "[ ]"
1 84 MET 0.002 0.002 1 0 "[ ]"
1 87 TYR 0.001 0.001 1 0 "[ ]"
1 88 LEU 0.002 0.002 1 0 "[ ]"
1 93 VAL 0.000 0.000 . 0 "[ ]"
1 95 HIS 0.007 0.007 1 0 "[ ]"
1 97 GLU 0.047 0.047 1 0 "[ ]"
1 102 GLU 0.000 0.000 . 0 "[ ]"
1 103 SER 0.016 0.016 1 0 "[ ]"
1 104 GLU 0.000 0.000 . 0 "[ ]"
1 105 THR 0.079 0.073 1 0 "[ ]"
1 106 PHE 0.039 0.039 1 0 "[ ]"
1 107 ARG 0.016 0.016 1 0 "[ ]"
1 108 ALA 0.000 0.000 . 0 "[ ]"
1 109 TYR 0.079 0.073 1 0 "[ ]"
1 110 PHE 0.039 0.039 1 0 "[ ]"
1 115 ILE 0.001 0.001 1 0 "[ ]"
1 117 LYS 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 ILE H 1 31 VAL O 1.950 . 2.300 2.382 2.382 2.382 0.082 1 0 "[ ]" 2
2 1 20 ILE N 1 31 VAL O 2.900 2.500 3.300 2.971 2.971 2.971 . 0 0 "[ ]" 2
3 1 21 TRP H 1 46 VAL O 1.950 . 2.300 2.092 2.092 2.092 . 0 0 "[ ]" 2
4 1 21 TRP N 1 46 VAL O 2.900 2.500 3.300 2.652 2.652 2.652 . 0 0 "[ ]" 2
5 1 22 ARG H 1 29 VAL O 1.950 . 2.300 2.123 2.123 2.123 . 0 0 "[ ]" 2
6 1 22 ARG N 1 29 VAL O 2.900 2.500 3.300 2.723 2.723 2.723 . 0 0 "[ ]" 2
7 1 22 ARG O 1 29 VAL H 1.950 . 2.300 2.320 2.320 2.320 0.020 1 0 "[ ]" 2
8 1 22 ARG O 1 29 VAL N 2.900 2.500 3.300 2.709 2.709 2.709 . 0 0 "[ ]" 2
9 1 20 ILE O 1 31 VAL H 1.950 . 2.300 1.944 1.944 1.944 . 0 0 "[ ]" 2
10 1 20 ILE O 1 31 VAL N 2.900 2.500 3.300 2.774 2.774 2.774 . 0 0 "[ ]" 2
11 1 43 ASP H 1 66 GLY O 1.950 . 2.300 2.589 2.589 2.589 0.289 1 0 "[ ]" 2
12 1 43 ASP N 1 66 GLY O 2.900 2.500 3.300 2.908 2.908 2.908 . 0 0 "[ ]" 2
13 1 45 TYR H 1 64 TRP O 1.950 . 2.300 2.082 2.082 2.082 . 0 0 "[ ]" 2
14 1 45 TYR N 1 64 TRP O 2.900 2.500 3.300 2.961 2.961 2.961 . 0 0 "[ ]" 2
15 1 21 TRP O 1 46 VAL H 1.950 . 2.300 2.347 2.347 2.347 0.047 1 0 "[ ]" 2
16 1 21 TRP O 1 46 VAL N 2.900 2.500 3.300 3.125 3.125 3.125 . 0 0 "[ ]" 2
17 1 47 LEU H 1 62 HIS O 1.950 . 2.300 2.314 2.314 2.314 0.014 1 0 "[ ]" 2
18 1 47 LEU N 1 62 HIS O 2.900 2.500 3.300 3.114 3.114 3.114 . 0 0 "[ ]" 2
19 1 19 GLN O 1 48 LEU H 1.950 . 2.300 2.068 2.068 2.068 . 0 0 "[ ]" 2
20 1 19 GLN O 1 48 LEU N 2.900 2.500 3.300 3.026 3.026 3.026 . 0 0 "[ ]" 2
21 1 49 SER H 1 60 ASN O 1.950 . 2.300 2.086 2.086 2.086 . 0 0 "[ ]" 2
22 1 49 SER N 1 60 ASN O 2.900 2.500 3.300 3.057 3.057 3.057 . 0 0 "[ ]" 2
23 1 17 GLY O 1 50 THR H 1.950 . 2.300 2.117 2.117 2.117 . 0 0 "[ ]" 2
24 1 17 GLY O 1 50 THR N 2.900 2.500 3.300 3.089 3.089 3.089 . 0 0 "[ ]" 2
25 1 51 ARG H 1 58 SER O 1.950 . 2.300 2.305 2.305 2.305 0.005 1 0 "[ ]" 2
26 1 51 ARG N 1 58 SER O 2.900 2.500 3.300 3.202 3.202 3.202 . 0 0 "[ ]" 2
27 1 51 ARG O 1 58 SER H 1.950 . 2.300 2.097 2.097 2.097 . 0 0 "[ ]" 2
28 1 51 ARG O 1 58 SER N 2.900 2.500 3.300 3.030 3.030 3.030 . 0 0 "[ ]" 2
29 1 49 SER O 1 60 ASN H 1.950 . 2.300 2.097 2.097 2.097 . 0 0 "[ ]" 2
30 1 49 SER O 1 60 ASN N 2.900 2.500 3.300 2.751 2.751 2.751 . 0 0 "[ ]" 2
31 1 61 ILE H 1 93 VAL O 1.950 . 2.300 2.081 2.081 2.081 . 0 0 "[ ]" 2
32 1 61 ILE N 1 93 VAL O 2.900 2.500 3.300 2.782 2.782 2.782 . 0 0 "[ ]" 2
33 1 47 LEU O 1 62 HIS H 1.950 . 2.300 2.028 2.028 2.028 . 0 0 "[ ]" 2
34 1 47 LEU O 1 62 HIS N 2.900 2.500 3.300 2.781 2.781 2.781 . 0 0 "[ ]" 2
35 1 63 TYR H 1 95 HIS O 1.950 . 2.300 2.307 2.307 2.307 0.007 1 0 "[ ]" 2
36 1 63 TYR N 1 95 HIS O 2.900 2.500 3.300 3.107 3.107 3.107 . 0 0 "[ ]" 2
37 1 45 TYR O 1 64 TRP H 1.950 . 2.300 2.083 2.083 2.083 . 0 0 "[ ]" 2
38 1 45 TYR O 1 64 TRP N 2.900 2.500 3.300 2.984 2.984 2.984 . 0 0 "[ ]" 2
39 1 65 LEU H 1 97 GLU O 1.950 . 2.300 2.210 2.210 2.210 . 0 0 "[ ]" 2
40 1 65 LEU N 1 97 GLU O 2.900 2.500 3.300 2.968 2.968 2.968 . 0 0 "[ ]" 2
41 1 43 ASP O 1 66 GLY H 1.950 . 2.300 2.204 2.204 2.204 . 0 0 "[ ]" 2
42 1 43 ASP O 1 66 GLY N 2.900 2.500 3.300 2.484 2.484 2.484 0.016 1 0 "[ ]" 2
43 1 63 TYR O 1 97 GLU H 1.950 . 2.300 2.347 2.347 2.347 0.047 1 0 "[ ]" 2
44 1 63 TYR O 1 97 GLU N 2.900 2.500 3.300 3.214 3.214 3.214 . 0 0 "[ ]" 2
45 1 39 PHE H 1 115 ILE O 1.950 . 2.300 2.298 2.298 2.298 . 0 0 "[ ]" 2
46 1 39 PHE N 1 115 ILE O 2.900 2.500 3.300 3.148 3.148 3.148 . 0 0 "[ ]" 2
47 1 41 GLU H 1 117 LYS O 1.950 . 2.300 2.095 2.095 2.095 . 0 0 "[ ]" 2
48 1 41 GLU N 1 117 LYS O 2.900 2.500 3.300 2.988 2.988 2.988 . 0 0 "[ ]" 2
49 1 37 GLY O 1 115 ILE H 1.950 . 2.300 2.301 2.301 2.301 0.001 1 0 "[ ]" 2
50 1 37 GLY O 1 115 ILE N 2.900 2.500 3.300 2.904 2.904 2.904 . 0 0 "[ ]" 2
51 1 70 SER O 1 74 GLN H 1.950 . 2.300 2.325 2.325 2.325 0.025 1 0 "[ ]" 2
52 1 70 SER O 1 74 GLN N 2.900 2.500 3.300 3.223 3.223 3.223 . 0 0 "[ ]" 2
53 1 71 GLN O 1 75 GLY H 1.950 . 2.300 2.308 2.308 2.308 0.008 1 0 "[ ]" 2
54 1 71 GLN O 1 75 GLY N 2.900 2.500 3.300 3.178 3.178 3.178 . 0 0 "[ ]" 2
55 1 72 ASP O 1 76 ALA H 1.950 . 2.300 2.094 2.094 2.094 . 0 0 "[ ]" 2
56 1 72 ASP O 1 76 ALA N 2.900 2.500 3.300 2.869 2.869 2.869 . 0 0 "[ ]" 2
57 1 73 GLU O 1 77 ALA H 1.950 . 2.300 2.096 2.096 2.096 . 0 0 "[ ]" 2
58 1 73 GLU O 1 77 ALA N 2.900 2.500 3.300 2.990 2.990 2.990 . 0 0 "[ ]" 2
59 1 74 GLN O 1 78 ALA H 1.950 . 2.300 2.309 2.309 2.309 0.009 1 0 "[ ]" 2
60 1 74 GLN O 1 78 ALA N 2.900 2.500 3.300 3.198 3.198 3.198 . 0 0 "[ ]" 2
61 1 75 GLY O 1 79 ILE H 1.950 . 2.300 2.094 2.094 2.094 . 0 0 "[ ]" 2
62 1 75 GLY O 1 79 ILE N 2.900 2.500 3.300 2.913 2.913 2.913 . 0 0 "[ ]" 2
63 1 76 ALA O 1 80 TYR H 1.950 . 2.300 2.064 2.064 2.064 . 0 0 "[ ]" 2
64 1 76 ALA O 1 80 TYR N 2.900 2.500 3.300 3.008 3.008 3.008 . 0 0 "[ ]" 2
65 1 77 ALA O 1 81 THR H 1.950 . 2.300 2.304 2.304 2.304 0.004 1 0 "[ ]" 2
66 1 77 ALA O 1 81 THR N 2.900 2.500 3.300 3.243 3.243 3.243 . 0 0 "[ ]" 2
67 1 78 ALA O 1 82 THR H 1.950 . 2.300 2.102 2.102 2.102 . 0 0 "[ ]" 2
68 1 78 ALA O 1 82 THR N 2.900 2.500 3.300 2.815 2.815 2.815 . 0 0 "[ ]" 2
69 1 79 ILE O 1 83 GLN H 1.950 . 2.300 2.102 2.102 2.102 . 0 0 "[ ]" 2
70 1 79 ILE O 1 83 GLN N 2.900 2.500 3.300 2.799 2.799 2.799 . 0 0 "[ ]" 2
71 1 80 TYR O 1 84 MET H 1.950 . 2.300 2.144 2.144 2.144 . 0 0 "[ ]" 2
72 1 80 TYR O 1 84 MET N 2.900 2.500 3.300 3.050 3.050 3.050 . 0 0 "[ ]" 2
73 1 83 GLN O 1 87 TYR H 1.950 . 2.300 2.301 2.301 2.301 0.001 1 0 "[ ]" 2
74 1 83 GLN O 1 87 TYR N 2.900 2.500 3.300 3.180 3.180 3.180 . 0 0 "[ ]" 2
75 1 84 MET O 1 88 LEU H 1.950 . 2.300 2.302 2.302 2.302 0.002 1 0 "[ ]" 2
76 1 84 MET O 1 88 LEU N 2.900 2.500 3.300 2.968 2.968 2.968 . 0 0 "[ ]" 2
77 1 102 GLU O 1 106 PHE H 1.950 . 2.300 2.272 2.272 2.272 . 0 0 "[ ]" 2
78 1 102 GLU O 1 106 PHE N 2.900 2.500 3.300 3.037 3.037 3.037 . 0 0 "[ ]" 2
79 1 103 SER O 1 107 ARG H 1.950 . 2.300 2.316 2.316 2.316 0.016 1 0 "[ ]" 2
80 1 103 SER O 1 107 ARG N 2.900 2.500 3.300 3.231 3.231 3.231 . 0 0 "[ ]" 2
81 1 104 GLU O 1 108 ALA H 1.950 . 2.300 2.097 2.097 2.097 . 0 0 "[ ]" 2
82 1 104 GLU O 1 108 ALA N 2.900 2.500 3.300 2.731 2.731 2.731 . 0 0 "[ ]" 2
83 1 105 THR O 1 109 TYR H 1.950 . 2.300 2.373 2.373 2.373 0.073 1 0 "[ ]" 2
84 1 105 THR O 1 109 TYR N 2.900 2.500 3.300 3.306 3.306 3.306 0.006 1 0 "[ ]" 2
85 1 106 PHE O 1 110 PHE H 1.950 . 2.300 2.339 2.339 2.339 0.039 1 0 "[ ]" 2
86 1 106 PHE O 1 110 PHE N 2.900 2.500 3.300 3.158 3.158 3.158 . 0 0 "[ ]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 3:01:54 PM GMT (wattos1)